N-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide

C20H22ClNO2S — CID 91817367

IUPACN-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
SMILESCC(=O)c1ccc(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)s1
InChIInChI=1S/C20H22ClNO2S/c1-14(23)18-9-8-17(25-18)10-13-22-19(24)20(11-2-3-12-20)15-4-6-16(21)7-5-15/h4-9H,2-3,10-13H2,1H3,(H,22,24)
InChIKeySNISTENIWZNECQ-UHFFFAOYSA-N
MW375.92 g/mol
LogP4.77
Rot. Bonds6

About N-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide

N-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide (PubChem CID 91817367) has the molecular formula C20H22ClNO2S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
PubChem CID91817367
Molecular FormulaC20H22ClNO2S
Molecular Weight375.92 g/mol
Exact Mass375.11
IUPAC NameN-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
SMILESCC(=O)c1ccc(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)s1
InChIInChI=1S/C20H22ClNO2S/c1-14(23)18-9-8-17(25-18)10-13-22-19(24)20(11-2-3-12-20)15-4-6-16(21)7-5-15/h4-9H,2-3,10-13H2,1H3,(H,22,24)
InChIKeySNISTENIWZNECQ-UHFFFAOYSA-N
XLogP4.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 90650091
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119548194
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
N-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 91817354
N-but-3-ynyl-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 90537906
N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide
CID 91817317
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939
1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 154576822
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
1-(4-chlorophenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]cyclopentane-1-carboxamide
CID 71802086
1-(4-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 69262751
1-(4-chlorophenyl)-N-(3-cyclopropyl-3-hydroxypropyl)cyclopentane-1-carboxamide
CID 71787479

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide (CID 91817367) is N-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide is CC(=O)c1ccc(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)s1.
What is the InChIKey of N-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide?
The InChIKey is SNISTENIWZNECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2S/c1-14(23)18-9-8-17(25-18)10-13-22-19(24)20(11-2-3-12-20)15-4-6-16(21)7-5-15/h4-9H,2-3,10-13H2,1H3,(H,22,24).
What are the key properties of N-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide?
N-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide has a molecular weight of 375.92 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 91817367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).