N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide

C24H23FN2O2S — CID 1465576

IUPACN-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1cccs1)c1cccc(F)c1
InChIInChI=1S/C24H23FN2O2S/c25-18-10-6-13-20(16-18)27(24(29)21-14-7-15-30-21)22(17-8-2-1-3-9-17)23(28)26-19-11-4-5-12-19/h1-3,6-10,13-16,19,22H,4-5,11-12H2,(H,26,28)/t22-/m0/s1
InChIKeyPYOMFWATUKJPAT-QFIPXVFZSA-N
MW422.53 g/mol
LogP5.33
Rot. Bonds6

About N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide (PubChem CID 1465576) has the molecular formula C24H23FN2O2S and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
PubChem CID1465576
Molecular FormulaC24H23FN2O2S
Molecular Weight422.53 g/mol
Exact Mass422.15
IUPAC NameN-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1cccs1)c1cccc(F)c1
InChIInChI=1S/C24H23FN2O2S/c25-18-10-6-13-20(16-18)27(24(29)21-14-7-15-30-21)22(17-8-2-1-3-9-17)23(28)26-19-11-4-5-12-19/h1-3,6-10,13-16,19,22H,4-5,11-12H2,(H,26,28)/t22-/m0/s1
InChIKeyPYOMFWATUKJPAT-QFIPXVFZSA-N
XLogP5.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 3228313
N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 1435781
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3180649
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
CID 1467629
N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3210955
N-[(1S)-2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 1435776
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211053
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 3178297
5-(N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-5-oxopentanoic acid
CID 21156879
2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 122537155
N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 1457919
(2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 40580851

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide (CID 1465576) is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide is O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1cccs1)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is PYOMFWATUKJPAT-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23FN2O2S/c25-18-10-6-13-20(16-18)27(24(29)21-14-7-15-30-21)22(17-8-2-1-3-9-17)23(28)26-19-11-4-5-12-19/h1-3,6-10,13-16,19,22H,4-5,11-12H2,(H,26,28)/t22-/m0/s1.
What are the key properties of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide?
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 1465576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).