N-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide

C17H14N2O3S — CID 1245872

IUPACN-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide
SMILESNC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccco1
InChIInChI=1S/C17H14N2O3S/c18-15(20)13-10-12(9-11-5-2-1-3-6-11)23-17(13)19-16(21)14-7-4-8-22-14/h1-8,10H,9H2,(H2,18,20)(H,19,21)
InChIKeyCHERUBJRJGWGFE-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.28
Rot. Bonds5

About N-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide

N-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide (PubChem CID 1245872) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide
PubChem CID1245872
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC NameN-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide
SMILESNC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccco1
InChIInChI=1S/C17H14N2O3S/c18-15(20)13-10-12(9-11-5-2-1-3-6-11)23-17(13)19-16(21)14-7-4-8-22-14/h1-8,10H,9H2,(H2,18,20)(H,19,21)
InChIKeyCHERUBJRJGWGFE-UHFFFAOYSA-N
XLogP3.28
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
CID 902868
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide
CID 673534
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-2-furamide
CID 793579
N-(2-Furylmethyl)-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1278238
Cbr-5884
CID 4674993
6-t-Butyl-2-(furan-2-carboxamido)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylic acid
CID 2898877
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide
CID 661197
N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide
CID 699928
N-(4-phenylthiophen-2-yl)furan-2-carboxamide
CID 699965
Methyl 2-(2-furylcarbonylamino)-5-methylthiophene-3-carboxylate
CID 1246438
2-(Furan-2-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 4346283
N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 7190235

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide (CID 1245872) is N-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide is NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccco1.
What is the InChIKey of N-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide?
The InChIKey is CHERUBJRJGWGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c18-15(20)13-10-12(9-11-5-2-1-3-6-11)23-17(13)19-16(21)14-7-4-8-22-14/h1-8,10H,9H2,(H2,18,20)(H,19,21).
What are the key properties of N-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide?
N-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide is sourced from PubChem (CID 1245872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).