N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

C19H19NO4S — CID 17438326

IUPACN-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2CSC)cc1OC
InChIInChI=1S/C19H19NO4S/c1-22-16-9-8-12(10-17(16)23-2)20-19(21)18-14(11-25-3)13-6-4-5-7-15(13)24-18/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyBMSQCCWQUVAZTF-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.57
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 17438326) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
PubChem CID17438326
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2CSC)cc1OC
InChIInChI=1S/C19H19NO4S/c1-22-16-9-8-12(10-17(16)23-2)20-19(21)18-14(11-25-3)13-6-4-5-7-15(13)24-18/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyBMSQCCWQUVAZTF-UHFFFAOYSA-N
XLogP4.57
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 2679006
3-(methylsulfanylmethyl)-N-(3-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 4780812
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 46530638
N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16818095
3-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 55335238
N-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 16818189
3-[(5-bromofuran-2-carbonyl)amino]-N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818188
3-(methylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 17460072
N-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 24582389
N-(4-bromo-2-methylphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 26731468
3-(methylsulfanylmethyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 17406317
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653280

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide (CID 17438326) is N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2oc3ccccc3c2CSC)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is BMSQCCWQUVAZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-22-16-9-8-12(10-17(16)23-2)20-19(21)18-14(11-25-3)13-6-4-5-7-15(13)24-18/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17438326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).