N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide

C12H13N3O3S2 — CID 47135355

IUPACN-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2ccccn2)s1
InChIInChI=1S/C12H13N3O3S2/c1-13-20(17,18)11-6-5-9(19-11)8-15-12(16)10-4-2-3-7-14-10/h2-7,13H,8H2,1H3,(H,15,16)
InChIKeyPPWHWSPOQTWENW-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.98
Rot. Bonds5

About N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide

N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 47135355) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
PubChem CID47135355
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC NameN-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2ccccn2)s1
InChIInChI=1S/C12H13N3O3S2/c1-13-20(17,18)11-6-5-9(19-11)8-15-12(16)10-4-2-3-7-14-10/h2-7,13H,8H2,1H3,(H,15,16)
InChIKeyPPWHWSPOQTWENW-UHFFFAOYSA-N
XLogP0.98
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 47152750
2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119698675
1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86862939
3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 47152765
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide
CID 71982069
4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 47152770
N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 47099016
1-cyclopropyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyrrole-2-carboxamide
CID 75472961
5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 107517313
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62339651
3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 71853824
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993027

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide (CID 47135355) is N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide is CNS(=O)(=O)c1ccc(CNC(=O)c2ccccn2)s1.
What is the InChIKey of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is PPWHWSPOQTWENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c1-13-20(17,18)11-6-5-9(19-11)8-15-12(16)10-4-2-3-7-14-10/h2-7,13H,8H2,1H3,(H,15,16).
What are the key properties of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide?
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 47135355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).