N-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide

C13H14N2O3S2 — CID 22901909

IUPACN-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C13H14N2O3S2/c1-15(9-10-5-3-2-4-6-10)13(16)11-7-8-12(19-11)20(14,17)18/h2-8H,9H2,1H3,(H2,14,17,18)
InChIKeyLKZBGOJOALIIQG-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.67
Rot. Bonds4

About N-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide

N-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide (PubChem CID 22901909) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide
PubChem CID22901909
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC NameN-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C13H14N2O3S2/c1-15(9-10-5-3-2-4-6-10)13(16)11-7-8-12(19-11)20(14,17)18/h2-8H,9H2,1H3,(H2,14,17,18)
InChIKeyLKZBGOJOALIIQG-UHFFFAOYSA-N
XLogP1.67
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide
CID 110678045
5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide
CID 53124472
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide
CID 71920351
N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107020696
5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934042
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 78800736
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide
CID 14909926
lithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid
CID 161134035
N-benzyl-5-[ethyl(methylsulfonyl)amino]-N-methyl-1-benzothiophene-2-carboxamide
CID 50810660

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide (CID 22901909) is N-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(S(N)(=O)=O)s1.
What is the InChIKey of N-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide?
The InChIKey is LKZBGOJOALIIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-15(9-10-5-3-2-4-6-10)13(16)11-7-8-12(19-11)20(14,17)18/h2-8H,9H2,1H3,(H2,14,17,18).
What are the key properties of N-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide?
N-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 22901909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).