N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide

C21H25NO3S — CID 133165833

IUPACN-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccccc2)CCCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H25NO3S/c1-16(17-10-12-19(13-11-17)26(2,24)25)22-20(23)21(14-6-7-15-21)18-8-4-3-5-9-18/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,22,23)
InChIKeyGXPOBOMYDUYZJQ-UHFFFAOYSA-N
MW371.50 g/mol
LogP3.78
Rot. Bonds5

About N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide

N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 133165833) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID133165833
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC NameN-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccccc2)CCCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H25NO3S/c1-16(17-10-12-19(13-11-17)26(2,24)25)22-20(23)21(14-6-7-15-21)18-8-4-3-5-9-18/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,22,23)
InChIKeyGXPOBOMYDUYZJQ-UHFFFAOYSA-N
XLogP3.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120
1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 81172890
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide
CID 100688576
N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 33361071
N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121496267
4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide
CID 34969110
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 95086523
1-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 95143298
1-(methoxymethyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 95143299
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide
CID 91776270
N-[1-(4-fluorophenyl)ethyl]-4-imino-1-phenylcycloheptane-1-carboxamide
CID 90916654

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide (CID 133165833) is N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide is CC(NC(=O)C1(c2ccccc2)CCCC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is GXPOBOMYDUYZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-16(17-10-12-19(13-11-17)26(2,24)25)22-20(23)21(14-6-7-15-21)18-8-4-3-5-9-18/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide?
N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 371.50 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 133165833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).