N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide

C27H30N4O3S — CID 3211129

IUPACN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCc1ccccc1N(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1ccncc1
InChIInChI=1S/C27H30N4O3S/c1-2-19-8-3-6-11-22(19)31(24(32)18-29-26(33)23-12-7-17-35-23)25(20-13-15-28-16-14-20)27(34)30-21-9-4-5-10-21/h3,6-8,11-17,21,25H,2,4-5,9-10,18H2,1H3,(H,29,33)(H,30,34)
InChIKeySQGXJAZKPZALNL-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.27
Rot. Bonds9

About N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211129) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211129
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCc1ccccc1N(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1ccncc1
InChIInChI=1S/C27H30N4O3S/c1-2-19-8-3-6-11-22(19)31(24(32)18-29-26(33)23-12-7-17-35-23)25(20-13-15-28-16-14-20)27(34)30-21-9-4-5-10-21/h3,6-8,11-17,21,25H,2,4-5,9-10,18H2,1H3,(H,29,33)(H,30,34)
InChIKeySQGXJAZKPZALNL-UHFFFAOYSA-N
XLogP4.27
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211053
N-[2-[[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211077
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211147
N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethylanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211863
N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211059
N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211058
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211192
N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202609
N-cyclopentyl-2-pyridin-4-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202608
N-[2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3210986
N-[2-(2,3-dimethyl-N-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 25317372

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 3211129) is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide is CCc1ccccc1N(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1ccncc1.
What is the InChIKey of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is SQGXJAZKPZALNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-2-19-8-3-6-11-22(19)31(24(32)18-29-26(33)23-12-7-17-35-23)25(20-13-15-28-16-14-20)27(34)30-21-9-4-5-10-21/h3,6-8,11-17,21,25H,2,4-5,9-10,18H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).