(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C20H24N2O4S — CID 26708035

IUPAC(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2Cc3ccccc3O2)ccc1C
InChIInChI=1S/C20H24N2O4S/c1-4-22(5-2)27(24,25)19-13-16(11-10-14(19)3)21-20(23)18-12-15-8-6-7-9-17(15)26-18/h6-11,13,18H,4-5,12H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyGJFMGELINFXPNG-GOSISDBHSA-N
MW388.49 g/mol
LogP2.97
Rot. Bonds6

About (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 26708035) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID26708035
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2Cc3ccccc3O2)ccc1C
InChIInChI=1S/C20H24N2O4S/c1-4-22(5-2)27(24,25)19-13-16(11-10-14(19)3)21-20(23)18-12-15-8-6-7-9-17(15)26-18/h6-11,13,18H,4-5,12H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyGJFMGELINFXPNG-GOSISDBHSA-N
XLogP2.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 3920148
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17496304
(2R)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26690500
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46665709
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42948461
N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 31973095
N-[3-(diethylsulfamoyl)-4-methylphenyl]morpholine-2-carboxamide
CID 119674988
(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9088486
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 30784955
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 26708035) is (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2Cc3ccccc3O2)ccc1C.
What is the InChIKey of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is GJFMGELINFXPNG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-22(5-2)27(24,25)19-13-16(11-10-14(19)3)21-20(23)18-12-15-8-6-7-9-17(15)26-18/h6-11,13,18H,4-5,12H2,1-3H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26708035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).