3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide

C22H17NO2S — CID 108793551

IUPAC3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Sc2ccccc2)oc2ccccc12
InChIInChI=1S/C22H17NO2S/c1-15-17-11-5-7-13-19(17)25-21(15)22(24)23-18-12-6-8-14-20(18)26-16-9-3-2-4-10-16/h2-14H,1H3,(H,23,24)
InChIKeyYAJDOLHVCOJDHT-UHFFFAOYSA-N
MW359.45 g/mol
LogP6.14
Rot. Bonds4

About 3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide

3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 108793551) has the molecular formula C22H17NO2S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide
PubChem CID108793551
Molecular FormulaC22H17NO2S
Molecular Weight359.45 g/mol
Exact Mass359.10
IUPAC Name3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Sc2ccccc2)oc2ccccc12
InChIInChI=1S/C22H17NO2S/c1-15-17-11-5-7-13-19(17)25-21(15)22(24)23-18-12-6-8-14-20(18)26-16-9-3-2-4-10-16/h2-14H,1H3,(H,23,24)
InChIKeyYAJDOLHVCOJDHT-UHFFFAOYSA-N
XLogP6.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 7463653
N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108805400
3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide
CID 8873313
N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7944836
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 3458464
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide
CID 24628583
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
CID 108793598

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide (CID 108793551) is 3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccccc2Sc2ccccc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is YAJDOLHVCOJDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2S/c1-15-17-11-5-7-13-19(17)25-21(15)22(24)23-18-12-6-8-14-20(18)26-16-9-3-2-4-10-16/h2-14H,1H3,(H,23,24).
What are the key properties of 3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 108793551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).