3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide

C19H19NO4S — CID 51247168

IUPAC3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)oc2ccccc12
InChIInChI=1S/C19H19NO4S/c1-12-16-6-4-5-7-17(16)24-18(12)19(21)20-13(2)14-8-10-15(11-9-14)25(3,22)23/h4-11,13H,1-3H3,(H,20,21)
InChIKeyDQWKEQPHWGKRIR-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.64
Rot. Bonds4

About 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide

3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 51247168) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID51247168
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)oc2ccccc12
InChIInChI=1S/C19H19NO4S/c1-12-16-6-4-5-7-17(16)24-18(12)19(21)20-13(2)14-8-10-15(11-9-14)25(3,22)23/h4-11,13H,1-3H3,(H,20,21)
InChIKeyDQWKEQPHWGKRIR-UHFFFAOYSA-N
XLogP3.64
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 58417462
N-[(1R)-1-[3-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 58417480
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43238782
N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 51247110
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 43357642
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]prop-2-enamide
CID 51247281
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 40972540
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 32592662
3-methyl-N-[(2R)-6-(methylamino)-5,6-dioxohexan-2-yl]-1-benzofuran-2-carboxamide
CID 167286262

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide (CID 51247168) is 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is DQWKEQPHWGKRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-12-16-6-4-5-7-17(16)24-18(12)19(21)20-13(2)14-8-10-15(11-9-14)25(3,22)23/h4-11,13H,1-3H3,(H,20,21).
What are the key properties of 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51247168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).