4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide

C15H18N2O4S2 — CID 90496546

IUPAC4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-17(2)23(20,21)13-5-3-11(4-6-13)15(19)16-9-14(18)12-7-8-22-10-12/h3-8,10,14,18H,9H2,1-2H3,(H,16,19)
InChIKeyHKCCWSKMSZFUKW-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.46
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide

4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide (PubChem CID 90496546) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
PubChem CID90496546
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Name4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-17(2)23(20,21)13-5-3-11(4-6-13)15(19)16-9-14(18)12-7-8-22-10-12/h3-8,10,14,18H,9H2,1-2H3,(H,16,19)
InChIKeyHKCCWSKMSZFUKW-UHFFFAOYSA-N
XLogP1.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]benzamide
CID 95986665
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031807
4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 103686182
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 111441258
4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499587
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide
CID 106436177
3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 111578613

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide (CID 90496546) is 4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCC(O)c2ccsc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The InChIKey is HKCCWSKMSZFUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-17(2)23(20,21)13-5-3-11(4-6-13)15(19)16-9-14(18)12-7-8-22-10-12/h3-8,10,14,18H,9H2,1-2H3,(H,16,19).
What are the key properties of 4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 90496546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).