N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide

C24H26N2O5S — CID 3196617

IUPACN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-29-18-12-11-17(15-20(18)30-2)26(24(28)19-9-5-13-31-19)22(21-10-6-14-32-21)23(27)25-16-7-3-4-8-16/h5-6,9-16,22H,3-4,7-8H2,1-2H3,(H,25,27)
InChIKeyCYDQMNJMSLDSJD-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.81
Rot. Bonds8

About N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide (PubChem CID 3196617) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
PubChem CID3196617
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-29-18-12-11-17(15-20(18)30-2)26(24(28)19-9-5-13-31-19)22(21-10-6-14-32-21)23(27)25-16-7-3-4-8-16/h5-6,9-16,22H,3-4,7-8H2,1-2H3,(H,25,27)
InChIKeyCYDQMNJMSLDSJD-UHFFFAOYSA-N
XLogP4.81
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide with MolForge

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Related Compounds

N-[(1Z)-3-[(2-methoxyphenyl)amino]-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 1591814
N-[(1Z)-3-[(4-methoxyphenyl)amino]-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 1597340
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethylfuran-2-carboxamide
CID 2650227
Propynoic acid (cyclopentylcarbamoyl-thiophen-2-yl-methyl)-(3,4-dimethoxy-phenyl)-amide
CID 3216692
Furan-2-carboxylic acid (cyclopentylcarbamoyl-thiophen-2-yl-methyl)-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide
CID 644807
Furan-2-carboxylic acid {[benzo[1,3]dioxol-5-yl-(cyclopentylcarbamoyl-thiophen-2-yl-methyl)-carbamoyl]-methyl}-amide
CID 646997
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-furan-2-yl-methyl)-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-carbamoyl]-methyl}-amide
CID 647312
N-[2,5-dimethoxy-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-furancarboxamide
CID 648371
N-Furan-2-ylmethyl-2-[phenyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-2-yl-acetamide
CID 649429
4-(2-Furoylamino)phenyl 2-thiophenecarboxylate
CID 650822
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-2-(3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-thiophen-2-ylmethyl-acetamide
CID 654783
N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1374340

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide (CID 3196617) is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide is COc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)cc1OC.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
The InChIKey is CYDQMNJMSLDSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-29-18-12-11-17(15-20(18)30-2)26(24(28)19-9-5-13-31-19)22(21-10-6-14-32-21)23(27)25-16-7-3-4-8-16/h5-6,9-16,22H,3-4,7-8H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 3196617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).