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2-(1H-indol-3-yl)-N-{[(4-methylbenzenesulfonyl)carbamoyl]amino}acetamide

2-(1H-indol-3-yl)-N-{[(4-methylbenzenesulfonyl)carbamoyl]amino}acetamide

CAS: 1024572-88-0

Formula: C18H18N4O4S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NNC(=O)CC1=CNC2=CC=CC=C12

IUPAC: 2-(1H-indol-3-yl)-N-{[(4-methylbenzenesulfonyl)carbamoyl]amino}acetamide

InChI: InChI=1S/C18H18N4O4S/c1-12-6-8-14(9-7-12)27(25,26)22-18(24)21-20-17(23)10-13-11-19-16-5-3-2-4-15(13)16/h2-9,11,19H,10H2,1H3,(H,20,23)(H2,21,22,24)

Composition: C (55.95%), H (4.70%), N (14.50%), O (16.56%), S (8.30%)

Molar Mass: 386.43

Atom Count: 45

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 386.10487625
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 4
InChIKey KQMRQSUBQMYQGF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.17
Topological Polar Surface Area 120.16
Polarizability 40.11
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1024572-88-0 $51.35-$524.40$51.35$63.37$86.31$524.40
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