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N-(5-{3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl}-4-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide

N-(5-{3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl}-4-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide

CAS: 1881233-39-1

Formula: C22H25N3O5S2

SMILES: COC1=C(C=C(C=C1)C1=C(C)N=C(NC(=O)C(C)(C)C)S1)S(=O)(=O)NC1=CC=C(O)C=C1

IUPAC: N-(5-{3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl}-4-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide

InChI: InChI=1S/C22H25N3O5S2/c1-13-19(31-21(23-13)24-20(27)22(2,3)4)14-6-11-17(30-5)18(12-14)32(28,29)25-15-7-9-16(26)10-8-15/h6-12,25-26H,1-5H3,(H,23,24,27)

Composition: C (55.56%), H (5.30%), N (8.84%), O (16.82%), S (13.48%)

Molar Mass: 475.58

Atom Count: 57

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 475.123563265
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey PLUYFBRIGUAKBR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 124.09
Topological Polar Surface Area 117.62
Polarizability 49.24
Ring Count 3
Rotatable Bond Count 6

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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1881233-39-1 $235.44-$1,717.61$235.44$372.26$742.23$1,145.07$1,717.61
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