6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide

C19H20N2O4S — CID 170110624

IUPAC6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide
SMILESCOc1cc(C)ccc1S(=O)NC(=O)c1cc2ccc(N(C)C)cc2o1
InChIInChI=1S/C19H20N2O4S/c1-12-5-8-18(16(9-12)24-4)26(23)20-19(22)17-10-13-6-7-14(21(2)3)11-15(13)25-17/h5-11H,1-4H3,(H,20,22)
InChIKeySLEPNVOAUFDEPR-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.27
Rot. Bonds5

About 6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide

6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide (PubChem CID 170110624) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide
PubChem CID170110624
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide
SMILESCOc1cc(C)ccc1S(=O)NC(=O)c1cc2ccc(N(C)C)cc2o1
InChIInChI=1S/C19H20N2O4S/c1-12-5-8-18(16(9-12)24-4)26(23)20-19(22)17-10-13-6-7-14(21(2)3)11-15(13)25-17/h5-11H,1-4H3,(H,20,22)
InChIKeySLEPNVOAUFDEPR-UHFFFAOYSA-N
XLogP3.27
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155714245
6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155244808
6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide
CID 155714230
6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide
CID 155244705
6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155244905
6-(dimethylamino)-N-(oxan-4-ylsulfinyl)-1-benzofuran-2-carboxamide
CID 170109884
N-(2-cyclobutyloxy-6-fluorophenyl)sulfinyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 170110737
N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234543
6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155233912
6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide
CID 155234463
(E)-3-[4-(dimethylamino)phenyl]-1-(6-methyl-1-benzofuran-2-yl)prop-2-en-1-one
CID 11243667
ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate
CID 155234000

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide (CID 170110624) is 6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide is COc1cc(C)ccc1S(=O)NC(=O)c1cc2ccc(N(C)C)cc2o1.
What is the InChIKey of 6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The InChIKey is SLEPNVOAUFDEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-12-5-8-18(16(9-12)24-4)26(23)20-19(22)17-10-13-6-7-14(21(2)3)11-15(13)25-17/h5-11H,1-4H3,(H,20,22).
What are the key properties of 6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 170110624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).