4-methyl-N-{2-[(2-phenylethyl)carbamoyl]phenyl}-3-(pyrrolidine-1-sulfonyl)benzamide

4-methyl-N-{2-[(2-phenylethyl)carbamoyl]phenyl}-3-(pyrrolidine-1-sulfonyl)benzamide

Formula: C27H29N3O4S

SMILES: CC1=CC=C(C=C1S(=O)(=O)N1CCCC1)C(=O)NC1=CC=CC=C1C(=O)NCCC1=CC=CC=C1

IUPAC: 4-methyl-N-{2-[(2-phenylethyl)carbamoyl]phenyl}-3-(pyrrolidine-1-sulfonyl)benzamide

InChI: InChI=1S/C27H29N3O4S/c1-20-13-14-22(19-25(20)35(33,34)30-17-7-8-18-30)26(31)29-24-12-6-5-11-23(24)27(32)28-16-15-21-9-3-2-4-10-21/h2-6,9-14,19H,7-8,15-18H2,1H3,(H,28,32)(H,29,31)

Composition: C (65.97%), H (5.95%), N (8.55%), O (13.02%), S (6.52%)

Molar Mass: 491.61

Atom Count: 64

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	491.1878776
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KPWMVLQXZZTKTB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	139.47
Topological Polar Surface Area	95.58
Polarizability	52.72
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H29N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00