(3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C17H18N2O4S — CID 124588262

IUPAC(3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN(c1ccccc1NC(=O)[C@H]1COc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C17H18N2O4S/c1-19(24(2,21)22)15-9-5-4-8-14(15)18-17(20)13-11-23-16-10-6-3-7-12(13)16/h3-10,13H,11H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyNHSZVCUXEKQEJK-ZDUSSCGKSA-N
MW346.41 g/mol
LogP2.20
Rot. Bonds4

About (3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide

(3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 124588262) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is (3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID124588262
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name(3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN(c1ccccc1NC(=O)[C@H]1COc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C17H18N2O4S/c1-19(24(2,21)22)15-9-5-4-8-14(15)18-17(20)13-11-23-16-10-6-3-7-12(13)16/h3-10,13H,11H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyNHSZVCUXEKQEJK-ZDUSSCGKSA-N
XLogP2.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

(3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95782971
4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82876586
N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 104757107
2-chloro-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 166403944
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
N-(4-chlorobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 83179536
(3S)-N-(5-cyano-2-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96503291
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 112691407
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 154872380
N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 138008983
N-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide
CID 71133041

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 124588262) is (3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide is CN(c1ccccc1NC(=O)[C@H]1COc2ccccc21)S(C)(=O)=O.
What is the InChIKey of (3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is NHSZVCUXEKQEJK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-19(24(2,21)22)15-9-5-4-8-14(15)18-17(20)13-11-23-16-10-6-3-7-12(13)16/h3-10,13H,11H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
(3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 124588262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).