4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide

C13H14N2O3S2 — CID 6486033

IUPAC4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1csc(C(N)=O)c1
InChIInChI=1S/C13H14N2O3S2/c1-15(8-10-5-3-2-4-6-10)20(17,18)11-7-12(13(14)16)19-9-11/h2-7,9H,8H2,1H3,(H2,14,16)
InChIKeyVWDALUKSVALIQR-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.67
Rot. Bonds5

About 4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide

4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 6486033) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide
PubChem CID6486033
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1csc(C(N)=O)c1
InChIInChI=1S/C13H14N2O3S2/c1-15(8-10-5-3-2-4-6-10)20(17,18)11-7-12(13(14)16)19-9-11/h2-7,9H,8H2,1H3,(H2,14,16)
InChIKeyVWDALUKSVALIQR-UHFFFAOYSA-N
XLogP1.67
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide
CID 20937294
4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
CID 851375
4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068586
4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 6503608
4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073791
4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 16761948
4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 6949945
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998
N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide
CID 6503614
4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073778
N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777828

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide (CID 6486033) is 4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide is CN(Cc1ccccc1)S(=O)(=O)c1csc(C(N)=O)c1.
What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is VWDALUKSVALIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-15(8-10-5-3-2-4-6-10)20(17,18)11-7-12(13(14)16)19-9-11/h2-7,9H,8H2,1H3,(H2,14,16).
What are the key properties of 4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide?
4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 6486033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).