N-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide

C24H24N2O2S — CID 25239450

IUPACN-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)CCCC2)cc1
InChIInChI=1S/C24H24N2O2S/c1-17-6-8-18(9-7-17)24(14-2-3-15-24)23(28)26-20-12-10-19(11-13-20)25-22(27)21-5-4-16-29-21/h4-13,16H,2-3,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyFFVYVALNTKUXJV-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.76
Rot. Bonds5

About N-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide

N-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 25239450) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID25239450
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC NameN-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)CCCC2)cc1
InChIInChI=1S/C24H24N2O2S/c1-17-6-8-18(9-7-17)24(14-2-3-15-24)23(28)26-20-12-10-19(11-13-20)25-22(27)21-5-4-16-29-21/h4-13,16H,2-3,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyFFVYVALNTKUXJV-UHFFFAOYSA-N
XLogP5.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1-hydroxycyclopentanecarbonyl)amino]phenyl]thiophene-2-carboxamide
CID 110911583
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CID 119309327
[4-(thiophene-2-carbonylamino)phenyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CID 55538756
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N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120855011
1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide
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1-(4-methylphenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
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N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
CID 46384112
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide (CID 25239450) is N-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide is Cc1ccc(C2(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)CCCC2)cc1.
What is the InChIKey of N-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is FFVYVALNTKUXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-17-6-8-18(9-7-17)24(14-2-3-15-24)23(28)26-20-12-10-19(11-13-20)25-22(27)21-5-4-16-29-21/h4-13,16H,2-3,14-15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide?
N-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 5.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 25239450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).