N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide

C25H26FN3O4S — CID 3210955

IUPACN-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccc(F)c2)o1
InChIInChI=1S/C25H26FN3O4S/c1-16-11-12-20(33-16)23(25(32)28-18-7-2-3-8-18)29(19-9-4-6-17(26)14-19)22(30)15-27-24(31)21-10-5-13-34-21/h4-6,9-14,18,23H,2-3,7-8,15H2,1H3,(H,27,31)(H,28,32)
InChIKeyGKLDXJVECAPVNV-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.35
Rot. Bonds8

About N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3210955) has the molecular formula C25H26FN3O4S and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3210955
Molecular FormulaC25H26FN3O4S
Molecular Weight483.57 g/mol
Exact Mass483.16
IUPAC NameN-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccc(F)c2)o1
InChIInChI=1S/C25H26FN3O4S/c1-16-11-12-20(33-16)23(25(32)28-18-7-2-3-8-18)29(19-9-4-6-17(26)14-19)22(30)15-27-24(31)21-10-5-13-34-21/h4-6,9-14,18,23H,2-3,7-8,15H2,1H3,(H,27,31)(H,28,32)
InChIKeyGKLDXJVECAPVNV-UHFFFAOYSA-N
XLogP4.35
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211192
N-[2-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3210963
2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3202455
N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
CID 1467625
N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211290
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211053
N-[2-(3-fluoro-N-[2-(2-methylbutan-2-ylamino)-1-(4-methylphenyl)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215826
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3178177
N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
CID 3202469
(2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
CID 1435899
N-[2-(3-fluoro-N-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 25316637
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 1465576

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 3210955) is N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(C(C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccc(F)c2)o1.
What is the InChIKey of N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is GKLDXJVECAPVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4S/c1-16-11-12-20(33-16)23(25(32)28-18-7-2-3-8-18)29(19-9-4-6-17(26)14-19)22(30)15-27-24(31)21-10-5-13-34-21/h4-6,9-14,18,23H,2-3,7-8,15H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.35, 8 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)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3210955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).