4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

C13H15N3O3S2 — CID 6503109

IUPAC4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1csc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C13H15N3O3S2/c1-16(2)21(18,19)11-6-12(20-9-11)13(17)15-8-10-4-3-5-14-7-10/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyOURIZYHCUYMVJI-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.32
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 6503109) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
PubChem CID6503109
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1csc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C13H15N3O3S2/c1-16(2)21(18,19)11-6-12(20-9-11)13(17)15-8-10-4-3-5-14-7-10/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyOURIZYHCUYMVJI-UHFFFAOYSA-N
XLogP1.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708038
2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171914
N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43425856
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4801676
5-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 50810734
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide
CID 71801417
2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110694215
4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086176
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (CID 6503109) is 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is CN(C)S(=O)(=O)c1csc(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is OURIZYHCUYMVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-16(2)21(18,19)11-6-12(20-9-11)13(17)15-8-10-4-3-5-14-7-10/h3-7,9H,8H2,1-2H3,(H,15,17).
What are the key properties of 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 6503109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).