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

C26H28N4O4S — CID 3211111

IUPACN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(N(C(=O)CNC(=O)c2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C26H28N4O4S/c1-34-21-10-8-20(9-11-21)30(23(31)17-28-25(32)22-7-4-16-35-22)24(18-12-14-27-15-13-18)26(33)29-19-5-2-3-6-19/h4,7-16,19,24H,2-3,5-6,17H2,1H3,(H,28,32)(H,29,33)
InChIKeyWIUPSEURTMOVOL-UHFFFAOYSA-N
MW492.60 g/mol
LogP3.71
Rot. Bonds9

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

N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211111) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211111
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(N(C(=O)CNC(=O)c2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C26H28N4O4S/c1-34-21-10-8-20(9-11-21)30(23(31)17-28-25(32)22-7-4-16-35-22)24(18-12-14-27-15-13-18)26(33)29-19-5-2-3-6-19/h4,7-16,19,24H,2-3,5-6,17H2,1H3,(H,28,32)(H,29,33)
InChIKeyWIUPSEURTMOVOL-UHFFFAOYSA-N
XLogP3.71
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 3211111) is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide is COc1ccc(N(C(=O)CNC(=O)c2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)cc1.
What is the InChIKey of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is WIUPSEURTMOVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-34-21-10-8-20(9-11-21)30(23(31)17-28-25(32)22-7-4-16-35-22)24(18-12-14-27-15-13-18)26(33)29-19-5-2-3-6-19/h4,7-16,19,24H,2-3,5-6,17H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).