(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C17H18N2O3S2 — CID 26002873

IUPAC(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3S2)c1
InChIInChI=1S/C17H18N2O3S2/c1-19(2)24(21,22)14-8-5-7-13(11-14)18-17(20)16-10-12-6-3-4-9-15(12)23-16/h3-9,11,16H,10H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyLHAMVAVDGCJXIZ-INIZCTEOSA-N
MW362.48 g/mol
LogP2.59
Rot. Bonds4

About (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 26002873) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID26002873
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3S2)c1
InChIInChI=1S/C17H18N2O3S2/c1-19(2)24(21,22)14-8-5-7-13(11-14)18-17(20)16-10-12-6-3-4-9-15(12)23-16/h3-9,11,16H,10H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyLHAMVAVDGCJXIZ-INIZCTEOSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25481154
N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55664497
trans-(1S,2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 9093768
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18140584
(3S)-2-benzoyl-N-[3-(dimethylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 41093802
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24592593
N-[4-(2-methylpropanoylamino)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51313014
6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 42924442
(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25399675
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55901197
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931163
(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 8961578

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 26002873) is (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3S2)c1.
What is the InChIKey of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is LHAMVAVDGCJXIZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-19(2)24(21,22)14-8-5-7-13(11-14)18-17(20)16-10-12-6-3-4-9-15(12)23-16/h3-9,11,16H,10H2,1-2H3,(H,18,20)/t16-/m0/s1.
What are the key properties of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 26002873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).