N-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C20H18N4O3S — CID 31310447

IUPACN-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C20H18N4O3S/c1-13-22-14-5-2-3-6-15(14)24(13)11-10-21-20(26)17-8-9-18(28-17)23-19(25)16-7-4-12-27-16/h2-9,12H,10-11H2,1H3,(H,21,26)(H,23,25)
InChIKeyCRQYLPSCMHJCQB-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.68
Rot. Bonds6

About N-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 31310447) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID31310447
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C20H18N4O3S/c1-13-22-14-5-2-3-6-15(14)24(13)11-10-21-20(26)17-8-9-18(28-17)23-19(25)16-7-4-12-27-16/h2-9,12H,10-11H2,1H3,(H,21,26)(H,23,25)
InChIKeyCRQYLPSCMHJCQB-UHFFFAOYSA-N
XLogP3.68
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-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-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide
CID 53063111
N-[2-[[N-ethyl-N'-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111352047
N-[4-[[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111352631
N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31303145
N-[5-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55517581
5-(furan-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 110309358
N-[5-[(2-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302984
N-[1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 74618313
N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60553481
2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 55775708
N-[5-[2-(4-bromophenyl)sulfanylethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 38613730

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 31310447) is N-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is Cc1nc2ccccc2n1CCNC(=O)c1ccc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is CRQYLPSCMHJCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-13-22-14-5-2-3-6-15(14)24(13)11-10-21-20(26)17-8-9-18(28-17)23-19(25)16-7-4-12-27-16/h2-9,12H,10-11H2,1H3,(H,21,26)(H,23,25).
What are the key properties of N-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 31310447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).