3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide

C12H13N3O3S2 — CID 62339651

IUPAC3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C12H13N3O3S2/c1-8-3-2-6-14-11(8)12(16)15-7-9-4-5-10(19-9)20(13,17)18/h2-6H,7H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyJFKNSDKZJUPGIF-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.03
Rot. Bonds4

About 3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide

3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 62339651) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
PubChem CID62339651
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Name3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C12H13N3O3S2/c1-8-3-2-6-14-11(8)12(16)15-7-9-4-5-10(19-9)20(13,17)18/h2-6H,7H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyJFKNSDKZJUPGIF-UHFFFAOYSA-N
XLogP1.03
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 107519560
5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 107517313
4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47004961
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 107519551
N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 47099016
2,4-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 47099010
2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242454
5-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62958487
2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 62662253
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 51111026
N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
CID 81483749
3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide (CID 62339651) is 3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide is Cc1cccnc1C(=O)NCc1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is JFKNSDKZJUPGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c1-8-3-2-6-14-11(8)12(16)15-7-9-4-5-10(19-9)20(13,17)18/h2-6H,7H2,1H3,(H,15,16)(H2,13,17,18).
What are the key properties of 3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide?
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62339651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).