N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C20H24N2O3S2 — CID 55499136

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2Cc3ccccc3S2)cc1
InChIInChI=1S/C20H24N2O3S2/c1-3-22(4-2)27(24,25)17-11-9-15(10-12-17)14-21-20(23)19-13-16-7-5-6-8-18(16)26-19/h5-12,19H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyABIIQSKBXDEQLQ-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.05
Rot. Bonds7

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 55499136) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID55499136
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2Cc3ccccc3S2)cc1
InChIInChI=1S/C20H24N2O3S2/c1-3-22(4-2)27(24,25)17-11-9-15(10-12-17)14-21-20(23)19-13-16-7-5-6-8-18(16)26-19/h5-12,19H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyABIIQSKBXDEQLQ-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
(2R)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804538
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 55472850
(2S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 99953268
(2S,3S)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51862144
4-[4-[(2,3-dihydro-1-benzothiophene-2-carbonylamino)methyl]phenoxy]butanoic acid
CID 119247068
N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 60735809
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
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 33315785

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 55499136) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2Cc3ccccc3S2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is ABIIQSKBXDEQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c1-3-22(4-2)27(24,25)17-11-9-15(10-12-17)14-21-20(23)19-13-16-7-5-6-8-18(16)26-19/h5-12,19H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55499136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).