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

C24H26N4O4S — CID 3211119

IUPACN-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCC1)c1ccncc1)c1cccs1
InChIInChI=1S/C24H26N4O4S/c29-21(15-26-23(30)20-8-4-14-33-20)28(16-19-7-3-13-32-19)22(17-9-11-25-12-10-17)24(31)27-18-5-1-2-6-18/h3-4,7-14,18,22H,1-2,5-6,15-16H2,(H,26,30)(H,27,31)
InChIKeyGSTPVGRWESJVLV-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.29
Rot. Bonds9

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

N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211119) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211119
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCC1)c1ccncc1)c1cccs1
InChIInChI=1S/C24H26N4O4S/c29-21(15-26-23(30)20-8-4-14-33-20)28(16-19-7-3-13-32-19)22(17-9-11-25-12-10-17)24(31)27-18-5-1-2-6-18/h3-4,7-14,18,22H,1-2,5-6,15-16H2,(H,26,30)(H,27,31)
InChIKeyGSTPVGRWESJVLV-UHFFFAOYSA-N
XLogP3.29
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 3211119) is N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCC1)c1ccncc1)c1cccs1.
What is the InChIKey of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is GSTPVGRWESJVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c29-21(15-26-23(30)20-8-4-14-33-20)28(16-19-7-3-13-32-19)22(17-9-11-25-12-10-17)24(31)27-18-5-1-2-6-18/h3-4,7-14,18,22H,1-2,5-6,15-16H2,(H,26,30)(H,27,31).
What are the key properties of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).