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N-ethyl-N-heptyl-4-(4-methanesulfonamidophenyl)-4-oxobutanamide

N-ethyl-N-heptyl-4-(4-methanesulfonamidophenyl)-4-oxobutanamide

CAS: 100632-58-4

Formula: C20H32N2O4S

SMILES: CCCCCCCN(CC)C(=O)CCC(=O)C1=CC=C(NS(C)(=O)=O)C=C1

IUPAC: N-ethyl-N-heptyl-4-(4-methanesulfonamidophenyl)-4-oxobutanamide

InChI: InChI=1S/C20H32N2O4S/c1-4-6-7-8-9-16-22(5-2)20(24)15-14-19(23)17-10-12-18(13-11-17)21-27(3,25)26/h10-13,21H,4-9,14-16H2,1-3H3

Composition: C (60.58%), H (8.13%), N (7.06%), O (16.14%), S (8.08%)

Molar Mass: 396.55

Atom Count: 59

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 396.208278692
Formal Charge 0
FSP3 0.6
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey IJUIQGJHHJVHKP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 108.08
Topological Polar Surface Area 83.55
Polarizability 42.68
Ring Count 1
Rotatable Bond Count 12

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