2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide

C26H28N2O3S — CID 1108722

IUPAC2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C26H28N2O3S/c1-20-15-17-23(18-16-20)32(30,31)28(19-21-9-3-2-4-10-21)25-14-8-7-13-24(25)26(29)27-22-11-5-6-12-22/h2-4,7-10,13-18,22H,5-6,11-12,19H2,1H3,(H,27,29)
InChIKeyIWRZBRHBXDFXTM-UHFFFAOYSA-N
MW448.59 g/mol
LogP5.06
Rot. Bonds7

About 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide (PubChem CID 1108722) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide
PubChem CID1108722
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C26H28N2O3S/c1-20-15-17-23(18-16-20)32(30,31)28(19-21-9-3-2-4-10-21)25-14-8-7-13-24(25)26(29)27-22-11-5-6-12-22/h2-4,7-10,13-18,22H,5-6,11-12,19H2,1H3,(H,27,29)
InChIKeyIWRZBRHBXDFXTM-UHFFFAOYSA-N
XLogP5.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
CID 53280424
2-[benzyl-[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 132628775
2-[benzyl-[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclopentylpropanamide
CID 132628769
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94862659
(2R)-2-[benzyl-[2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclopentylpropanamide
CID 125057415
2-[benzyl-[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 132633580
N-cyclopentyl-2-[[2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133247247
2-[benzyl-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclopentylpropanamide
CID 132629141
2-[benzyl-[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133196585
2-[benzyl-[2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133175657
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 125076660
N-cyclopentyl-2-[[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132628838

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide?
The IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide (CID 1108722) is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide.
What is the SMILES notation for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide?
The canonical SMILES for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide?
The InChIKey is IWRZBRHBXDFXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-20-15-17-23(18-16-20)32(30,31)28(19-21-9-3-2-4-10-21)25-14-8-7-13-24(25)26(29)27-22-11-5-6-12-22/h2-4,7-10,13-18,22H,5-6,11-12,19H2,1H3,(H,27,29).
What are the key properties of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide?
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide has a molecular weight of 448.59 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide is sourced from PubChem (CID 1108722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).