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4-methyl-N-[2-(propylcarbamoyl)phenyl]-3-(pyrrolidine-1-sulfonyl)benzamide

4-methyl-N-[2-(propylcarbamoyl)phenyl]-3-(pyrrolidine-1-sulfonyl)benzamide

Formula: C22H27N3O4S

SMILES: CCCNC(=O)C1=CC=CC=C1NC(=O)C1=CC=C(C)C(=C1)S(=O)(=O)N1CCCC1

IUPAC: 4-methyl-N-[2-(propylcarbamoyl)phenyl]-3-(pyrrolidine-1-sulfonyl)benzamide

InChI: InChI=1S/C22H27N3O4S/c1-3-12-23-22(27)18-8-4-5-9-19(18)24-21(26)17-11-10-16(2)20(15-17)30(28,29)25-13-6-7-14-25/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3,(H,23,27)(H,24,26)

Composition: C (61.52%), H (6.34%), N (9.78%), O (14.90%), S (7.46%)

Molar Mass: 429.54

Atom Count: 57

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 429.172227535
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey MIBHFYSOIZQJDL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 119.37
Topological Polar Surface Area 95.58
Polarizability 44.99
Ring Count 3
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H27N3O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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