N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide

C23H23ClN2O3S — CID 1471472

IUPACN-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1cccs1)C(=O)c1ccco1
InChIInChI=1S/C23H23ClN2O3S/c24-17-11-9-16(10-12-17)21(22(27)25-18-5-1-2-6-18)26(15-19-7-4-14-30-19)23(28)20-8-3-13-29-20/h3-4,7-14,18,21H,1-2,5-6,15H2,(H,25,27)/t21-/m0/s1
InChIKeyIHNNYJJMXQUMIF-NRFANRHFSA-N
MW442.97 g/mol
LogP5.44
Rot. Bonds7

About N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide

N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (PubChem CID 1471472) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
PubChem CID1471472
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC NameN-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1cccs1)C(=O)c1ccco1
InChIInChI=1S/C23H23ClN2O3S/c24-17-11-9-16(10-12-17)21(22(27)25-18-5-1-2-6-18)26(15-19-7-4-14-30-19)23(28)20-8-3-13-29-20/h3-4,7-14,18,21H,1-2,5-6,15H2,(H,25,27)/t21-/m0/s1
InChIKeyIHNNYJJMXQUMIF-NRFANRHFSA-N
XLogP5.44
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3196960
N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3196697
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1441603
N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211786
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 1441797
N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide
CID 1441838
N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211640
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 3191378
N-benzyl-N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]furan-2-carboxamide
CID 3196449
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 7145267
(2R)-2-[1,3-benzodioxol-5-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 25310583
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 5096296

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (CID 1471472) is N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1cccs1)C(=O)c1ccco1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The InChIKey is IHNNYJJMXQUMIF-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c24-17-11-9-16(10-12-17)21(22(27)25-18-5-1-2-6-18)26(15-19-7-4-14-30-19)23(28)20-8-3-13-29-20/h3-4,7-14,18,21H,1-2,5-6,15H2,(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide has a molecular weight of 442.97 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 1471472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).