3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide

C21H26N2O3S — CID 119796993

IUPAC3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1ccc(C(NC(=O)C2CCC(N)C2)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C21H26N2O3S/c1-14-6-8-15(9-7-14)20(23-21(24)17-10-11-18(22)12-17)16-4-3-5-19(13-16)27(2,25)26/h3-9,13,17-18,20H,10-12,22H2,1-2H3,(H,23,24)
InChIKeyFHXBWZNWHGIHFT-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.73
Rot. Bonds5

About 3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide

3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 119796993) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID119796993
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1ccc(C(NC(=O)C2CCC(N)C2)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C21H26N2O3S/c1-14-6-8-15(9-7-14)20(23-21(24)17-10-11-18(22)12-17)16-4-3-5-19(13-16)27(2,25)26/h3-9,13,17-18,20H,10-12,22H2,1-2H3,(H,23,24)
InChIKeyFHXBWZNWHGIHFT-UHFFFAOYSA-N
XLogP2.73
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119797007
3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 119738121
2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride
CID 119796976
3-amino-N-[(3-chlorophenyl)-phenylmethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736446
3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119803306
N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide
CID 8798133
N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
CID 166180691
3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
CID 66008930
1-(3-acetylphenyl)sulfonyl-N-[(R)-(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 40897728
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376252

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide (CID 119796993) is 3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide is Cc1ccc(C(NC(=O)C2CCC(N)C2)c2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of 3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is FHXBWZNWHGIHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-14-6-8-15(9-7-14)20(23-21(24)17-10-11-18(22)12-17)16-4-3-5-19(13-16)27(2,25)26/h3-9,13,17-18,20H,10-12,22H2,1-2H3,(H,23,24).
What are the key properties of 3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide?
3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119796993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).