4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide

C17H26N2O3S — CID 71994664

IUPAC4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide
SMILESCS(=O)(=O)NCc1ccc(NC(=O)CCCC2CCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-23(21,22)18-13-15-9-11-16(12-10-15)19-17(20)8-4-7-14-5-2-3-6-14/h9-12,14,18H,2-8,13H2,1H3,(H,19,20)
InChIKeyILERPIZLPSBGGY-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.03
Rot. Bonds8

About 4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide

4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide (PubChem CID 71994664) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide
PubChem CID71994664
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide
SMILESCS(=O)(=O)NCc1ccc(NC(=O)CCCC2CCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-23(21,22)18-13-15-9-11-16(12-10-15)19-17(20)8-4-7-14-5-2-3-6-14/h9-12,14,18H,2-8,13H2,1H3,(H,19,20)
InChIKeyILERPIZLPSBGGY-UHFFFAOYSA-N
XLogP3.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide
CID 154663741
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
CID 119224601
N-(4-butylphenyl)-3-cyclopentylpropanamide
CID 4076618
N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide
CID 119328480
4-cyclohexyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
CID 24560673
3-(4-cyclopentylbutanoylamino)-5-methylsulfonylbenzoic acid
CID 119257840
2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid
CID 119220510
3-(4-cyclohexylbutanoylamino)-5-methylsulfonylbenzoic acid
CID 119257879
4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide
CID 86971398
4-[(4-cyclopentylbutanoylamino)methyl]benzoic acid
CID 119165577
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide?
The IUPAC name of 4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide (CID 71994664) is 4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide.
What is the SMILES notation for 4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide?
The canonical SMILES for 4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide is CS(=O)(=O)NCc1ccc(NC(=O)CCCC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide?
The InChIKey is ILERPIZLPSBGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-23(21,22)18-13-15-9-11-16(12-10-15)19-17(20)8-4-7-14-5-2-3-6-14/h9-12,14,18H,2-8,13H2,1H3,(H,19,20).
What are the key properties of 4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide?
4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide has a molecular weight of 338.47 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide is sourced from PubChem (CID 71994664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).