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

C18H20N2O3S2 — CID 18140584

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C18H20N2O3S2/c1-20(2)25(22,23)17-10-6-4-8-14(17)12-19-18(21)16-11-13-7-3-5-9-15(13)24-16/h3-10,16H,11-12H2,1-2H3,(H,19,21)
InChIKeyZSTNTSYPSXDEAN-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.27
Rot. Bonds5

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

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 18140584) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID18140584
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C18H20N2O3S2/c1-20(2)25(22,23)17-10-6-4-8-14(17)12-19-18(21)16-11-13-7-3-5-9-15(13)24-16/h3-10,16H,11-12H2,1-2H3,(H,19,21)
InChIKeyZSTNTSYPSXDEAN-UHFFFAOYSA-N
XLogP2.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51311123
N-[(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 60565621
cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 26247678
N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55499136
(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 94795916
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 26002873
(1S,2S,4S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98681836
(1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98341757
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
(2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25481154
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 18140584) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)C1Cc2ccccc2S1.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is ZSTNTSYPSXDEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-20(2)25(22,23)17-10-6-4-8-14(17)12-19-18(21)16-11-13-7-3-5-9-15(13)24-16/h3-10,16H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18140584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).