N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide

C22H22N2O3S — CID 1469204

IUPACN-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide
SMILESO=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C22H22N2O3S/c25-21(23-16-8-4-5-9-16)20(19-13-7-15-28-19)24(17-10-2-1-3-11-17)22(26)18-12-6-14-27-18/h1-3,6-7,10-16,20H,4-5,8-9H2,(H,23,25)/t20-/m0/s1
InChIKeySGWYJJUPJADHGC-FQEVSTJZSA-N
MW394.50 g/mol
LogP4.79
Rot. Bonds6

About N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide

N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide (PubChem CID 1469204) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide
PubChem CID1469204
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide
SMILESO=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C22H22N2O3S/c25-21(23-16-8-4-5-9-16)20(19-13-7-15-28-19)24(17-10-2-1-3-11-17)22(26)18-12-6-14-27-18/h1-3,6-7,10-16,20H,4-5,8-9H2,(H,23,25)/t20-/m0/s1
InChIKeySGWYJJUPJADHGC-FQEVSTJZSA-N
XLogP4.79
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide
CID 1469205
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196629
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 1469191
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 1441882
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
CID 3196627
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3196630
N-(2-bromophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
CID 1469142
N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
CID 1469150
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide
CID 1449878
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-phenylfuran-2-carboxamide
CID 3196554
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 1439570
N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211431

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide?
The IUPAC name of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide (CID 1469204) is N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide is O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide?
The InChIKey is SGWYJJUPJADHGC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-21(23-16-8-4-5-9-16)20(19-13-7-15-28-19)24(17-10-2-1-3-11-17)22(26)18-12-6-14-27-18/h1-3,6-7,10-16,20H,4-5,8-9H2,(H,23,25)/t20-/m0/s1.
What are the key properties of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide?
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 1469204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).