3-({3-[(4-methoxyphenyl)carbamoyl]-4-methyl-5-phenylthiophen-2-yl}carbamoyl)propanoic acid

3-({3-[(4-methoxyphenyl)carbamoyl]-4-methyl-5-phenylthiophen-2-yl}carbamoyl)propanoic acid

Formula: C23H22N2O5S

SMILES: COC1=CC=C(NC(=O)C2=C(NC(=O)CCC(O)=O)SC(=C2C)C2=CC=CC=C2)C=C1

IUPAC: 3-({3-[(4-methoxyphenyl)carbamoyl]-4-methyl-5-phenylthiophen-2-yl}carbamoyl)propanoic acid

InChI: InChI=1S/C23H22N2O5S/c1-14-20(22(29)24-16-8-10-17(30-2)11-9-16)23(25-18(26)12-13-19(27)28)31-21(14)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)

Composition: C (63.00%), H (5.06%), N (6.39%), O (18.24%), S (7.31%)

Molar Mass: 438.5

Atom Count: 53

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	438.12494299
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	ISTBFJSHBTUZEI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.04
Topological Polar Surface Area	104.73
Polarizability	45.92
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H22N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00