N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide

C28H26N2O5S — CID 3173756

IUPACN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1cccc(N(C(=O)c2cc3ccccc3oc2=O)C(C(=O)NC2CCCC2)c2cccs2)c1
InChIInChI=1S/C28H26N2O5S/c1-34-21-12-6-11-20(17-21)30(27(32)22-16-18-8-2-5-13-23(18)35-28(22)33)25(24-14-7-15-36-24)26(31)29-19-9-3-4-10-19/h2,5-8,11-17,19,25H,3-4,9-10H2,1H3,(H,29,31)
InChIKeyIHURYAOZUYEMKR-UHFFFAOYSA-N
MW502.59 g/mol
LogP5.31
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide (PubChem CID 3173756) has the molecular formula C28H26N2O5S and a molecular weight of 502.59 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide
PubChem CID3173756
Molecular FormulaC28H26N2O5S
Molecular Weight502.59 g/mol
Exact Mass502.16
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1cccc(N(C(=O)c2cc3ccccc3oc2=O)C(C(=O)NC2CCCC2)c2cccs2)c1
InChIInChI=1S/C28H26N2O5S/c1-34-21-12-6-11-20(17-21)30(27(32)22-16-18-8-2-5-13-23(18)35-28(22)33)25(24-14-7-15-36-24)26(31)29-19-9-3-4-10-19/h2,5-8,11-17,19,25H,3-4,9-10H2,1H3,(H,29,31)
InChIKeyIHURYAOZUYEMKR-UHFFFAOYSA-N
XLogP5.31
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.59
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1174316
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 1441882
N-cyclopentyl-2-(3-methoxyphenyl)-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202705
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide
CID 1467642
N-cyclopentyl-2-(3-methoxyphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202719
N-(3-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 40782591
2-(4-chlorophenyl)-N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202553
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
CID 3216374
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 1469191
(2S)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1167775
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 1439570
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide
CID 1469205

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide (CID 3173756) is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide is COc1cccc(N(C(=O)c2cc3ccccc3oc2=O)C(C(=O)NC2CCCC2)c2cccs2)c1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is IHURYAOZUYEMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5S/c1-34-21-12-6-11-20(17-21)30(27(32)22-16-18-8-2-5-13-23(18)35-28(22)33)25(24-14-7-15-36-24)26(31)29-19-9-3-4-10-19/h2,5-8,11-17,19,25H,3-4,9-10H2,1H3,(H,29,31).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide?
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 502.59 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 3173756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).