N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide

C20H14N2O3S — CID 16857950

IUPACN-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H14N2O3S/c21-18(23)14-11-17(12-6-2-1-3-7-12)26-20(14)22-19(24)16-10-13-8-4-5-9-15(13)25-16/h1-11H,(H2,21,23)(H,22,24)
InChIKeyQJJIINAWNVDFPV-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.51
Rot. Bonds4

About N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide

N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 16857950) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide
PubChem CID16857950
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC NameN-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H14N2O3S/c21-18(23)14-11-17(12-6-2-1-3-7-12)26-20(14)22-19(24)16-10-13-8-4-5-9-15(13)25-16/h1-11H,(H2,21,23)(H,22,24)
InChIKeyQJJIINAWNVDFPV-UHFFFAOYSA-N
XLogP4.51
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-Methylfuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 675357
6-Methyl-2-[(5-methyl-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 3534903
N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 7190235
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
CID 667938
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide
CID 2439735
N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 2675152
Methyl 2-(2-furoylamino)-4-phenyl-3-thiophenecarboxylate
CID 703868
N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1132525
N-(3-carbamoyl-5-propylthiophen-2-yl)furan-2-carboxamide
CID 1244061
N-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide
CID 1245872
N-(2-furylmethyl)-2-[(2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1329150
3-methyl-N-[[4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1340458

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide (CID 16857950) is N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is QJJIINAWNVDFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c21-18(23)14-11-17(12-6-2-1-3-7-12)26-20(14)22-19(24)16-10-13-8-4-5-9-15(13)25-16/h1-11H,(H2,21,23)(H,22,24).
What are the key properties of N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide?
N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16857950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).