2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C12H14N2O4S — CID 67394565

IUPAC2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCc1oc2cc(N(C)S(C)(=O)=O)ccc2c1C(N)=O
InChIInChI=1S/C12H14N2O4S/c1-7-11(12(13)15)9-5-4-8(6-10(9)18-7)14(2)19(3,16)17/h4-6H,1-3H3,(H2,13,15)
InChIKeyOMPVMBZMSKWMPG-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.24
Rot. Bonds3

About 2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 67394565) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID67394565
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCc1oc2cc(N(C)S(C)(=O)=O)ccc2c1C(N)=O
InChIInChI=1S/C12H14N2O4S/c1-7-11(12(13)15)9-5-4-8(6-10(9)18-7)14(2)19(3,16)17/h4-6H,1-3H3,(H2,13,15)
InChIKeyOMPVMBZMSKWMPG-UHFFFAOYSA-N
XLogP1.24
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nesbuvir
CID 11561383
Gsk-2485852
CID 53354790
(4-{[5-Cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid
CID 71263604
4-(N-(5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-6-yl)methylsulfonamido)-2-fluorophenylboronic acid
CID 71263635
[3-[[[5-Cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]methyl]phenyl]boronic acid
CID 53372825
[4-[[[5-Cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]methyl]phenyl]boronic acid
CID 53372826
[4-[[[5-Cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]methyl]-2-methylphenyl]boronic acid
CID 53372829
2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-5-phenyl-1-benzofuran-3-carboxamide
CID 53377871
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
CID 53377987
2-(4-fluorophenyl)-N-methyl-5-methylidene-9-methylsulfonyl-7,8-dihydro-6H-furo[3,2-h][1]benzazepine-3-carboxamide
CID 57330244
2-(4-fluorophenyl)-N,5-dimethyl-9-methylsulfonyl-7,8-dihydrofuro[3,2-h][1]benzazepine-3-carboxamide
CID 57330245
2-(4-fluorophenyl)-N-methyl-9-methylsulfonyl-5-oxo-7,8-dihydro-6H-furo[3,2-h][1]benzazepine-3-carboxamide
CID 57330246

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 67394565) is 2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is Cc1oc2cc(N(C)S(C)(=O)=O)ccc2c1C(N)=O.
What is the InChIKey of 2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is OMPVMBZMSKWMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-7-11(12(13)15)9-5-4-8(6-10(9)18-7)14(2)19(3,16)17/h4-6H,1-3H3,(H2,13,15).
What are the key properties of 2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 67394565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).