1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide

C22H21ClN2OS — CID 121165751

IUPAC1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccnc(-c2ccsc2)c1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H21ClN2OS/c23-19-5-3-18(4-6-19)22(9-1-2-10-22)21(26)25-14-16-7-11-24-20(13-16)17-8-12-27-15-17/h3-8,11-13,15H,1-2,9-10,14H2,(H,25,26)
InChIKeyFTXBXCPWRXHHOX-UHFFFAOYSA-N
MW396.94 g/mol
LogP5.59
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide (PubChem CID 121165751) has the molecular formula C22H21ClN2OS and a molecular weight of 396.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide
PubChem CID121165751
Molecular FormulaC22H21ClN2OS
Molecular Weight396.94 g/mol
Exact Mass396.11
IUPAC Name1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccnc(-c2ccsc2)c1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H21ClN2OS/c23-19-5-3-18(4-6-19)22(9-1-2-10-22)21(26)25-14-16-7-11-24-20(13-16)17-8-12-27-15-17/h3-8,11-13,15H,1-2,9-10,14H2,(H,25,26)
InChIKeyFTXBXCPWRXHHOX-UHFFFAOYSA-N
XLogP5.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.94
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165718
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625659
1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide
CID 77091794
1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 122351982
methyl 3-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-5-[(2-thiophen-3-ylacetyl)amino]benzoate
CID 26278096
1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 71797525
3,5-ditert-butyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 121165766
1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 122245906
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 91625618
1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 91630268
1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea
CID 91625691

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide (CID 121165751) is 1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide is O=C(NCc1ccnc(-c2ccsc2)c1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is FTXBXCPWRXHHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2OS/c23-19-5-3-18(4-6-19)22(9-1-2-10-22)21(26)25-14-16-7-11-24-20(13-16)17-8-12-27-15-17/h3-8,11-13,15H,1-2,9-10,14H2,(H,25,26).
What are the key properties of 1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 396.94 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 121165751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).