N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide

C21H25NO3S — CID 42957046

IUPACN-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H25NO3S/c1-16(17-7-3-2-4-8-17)15-21(23)22-18-11-13-20(14-12-18)26(24,25)19-9-5-6-10-19/h2-4,7-8,11-14,16,19H,5-6,9-10,15H2,1H3,(H,22,23)
InChIKeyAJFYAZSOEQFLHA-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.54
Rot. Bonds6

About N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide

N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide (PubChem CID 42957046) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide
PubChem CID42957046
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC NameN-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H25NO3S/c1-16(17-7-3-2-4-8-17)15-21(23)22-18-11-13-20(14-12-18)26(24,25)19-9-5-6-10-19/h2-4,7-8,11-14,16,19H,5-6,9-10,15H2,1H3,(H,22,23)
InChIKeyAJFYAZSOEQFLHA-UHFFFAOYSA-N
XLogP4.54
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide
CID 17256826
N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 40790954
N-(4-cyclopentylsulfonylphenyl)butanamide
CID 110778666
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide
CID 46823749
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-phenylbutanamide
CID 43007936
3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide
CID 55612715
N-(4-cyclopentylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55611201
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
2-methyl-3-[4-(3-phenylbutanoylamino)phenyl]propanoic acid
CID 120540601
3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110622812

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide?
The IUPAC name of N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide (CID 42957046) is N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide.
What is the SMILES notation for N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide?
The canonical SMILES for N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide is CC(CC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1.
What is the InChIKey of N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide?
The InChIKey is AJFYAZSOEQFLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-16(17-7-3-2-4-8-17)15-21(23)22-18-11-13-20(14-12-18)26(24,25)19-9-5-6-10-19/h2-4,7-8,11-14,16,19H,5-6,9-10,15H2,1H3,(H,22,23).
What are the key properties of N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide?
N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide has a molecular weight of 371.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide is sourced from PubChem (CID 42957046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).