3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide

C17H14N2O3S — CID 7266821

IUPAC3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCSc1ccccc1C(=O)Nc1c(C(N)=O)oc2ccccc12
InChIInChI=1S/C17H14N2O3S/c1-23-13-9-5-3-7-11(13)17(21)19-14-10-6-2-4-8-12(10)22-15(14)16(18)20/h2-9H,1H3,(H2,18,20)(H,19,21)
InChIKeyHVNMANDSOLIVGG-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.51
Rot. Bonds4

About 3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide

3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 7266821) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide
PubChem CID7266821
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCSc1ccccc1C(=O)Nc1c(C(N)=O)oc2ccccc12
InChIInChI=1S/C17H14N2O3S/c1-23-13-9-5-3-7-11(13)17(21)19-14-10-6-2-4-8-12(10)22-15(14)16(18)20/h2-9H,1H3,(H2,18,20)(H,19,21)
InChIKeyHVNMANDSOLIVGG-UHFFFAOYSA-N
XLogP3.51
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 167790473
3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 16813614
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 5051440
3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3656399
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 41362468
3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 43990998
N-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 121059728
3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 3517374
3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide
CID 3456999

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide (CID 7266821) is 3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide is CSc1ccccc1C(=O)Nc1c(C(N)=O)oc2ccccc12.
What is the InChIKey of 3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is HVNMANDSOLIVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-23-13-9-5-3-7-11(13)17(21)19-14-10-6-2-4-8-12(10)22-15(14)16(18)20/h2-9H,1H3,(H2,18,20)(H,19,21).
What are the key properties of 3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide?
3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7266821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).