N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide

C25H28N4O4S — CID 3211192

IUPACN-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccnc2)o1
InChIInChI=1S/C25H28N4O4S/c1-17-11-12-20(33-17)23(25(32)28-18-7-3-2-4-8-18)29(19-9-5-13-26-15-19)22(30)16-27-24(31)21-10-6-14-34-21/h5-6,9-15,18,23H,2-4,7-8,16H2,1H3,(H,27,31)(H,28,32)
InChIKeyFGNSUCCRVVAWOL-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.00
Rot. Bonds8

About N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211192) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211192
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccnc2)o1
InChIInChI=1S/C25H28N4O4S/c1-17-11-12-20(33-17)23(25(32)28-18-7-3-2-4-8-18)29(19-9-5-13-26-15-19)22(30)16-27-24(31)21-10-6-14-34-21/h5-6,9-15,18,23H,2-4,7-8,16H2,1H3,(H,27,31)(H,28,32)
InChIKeyFGNSUCCRVVAWOL-UHFFFAOYSA-N
XLogP4.00
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211077
N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3210955
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211147
N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3210963
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211053
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211129
(2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
CID 1435899
N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
CID 3202469
2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3202455
N-[2-[[(1S)-1-(3,4-dimethoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 98108716
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide
CID 3211759
methyl 4-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3202452

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 3211192) is N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccnc2)o1.
What is the InChIKey of N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is FGNSUCCRVVAWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-17-11-12-20(33-17)23(25(32)28-18-7-3-2-4-8-18)29(19-9-5-13-26-15-19)22(30)16-27-24(31)21-10-6-14-34-21/h5-6,9-15,18,23H,2-4,7-8,16H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).