4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide

C13H14N2O3S2 — CID 79777228

IUPAC4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H14N2O3S2/c1-9-7-19-8-12(9)13(16)15-6-10-2-4-11(5-3-10)20(14,17)18/h2-5,7-8H,6H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyQWZKBJLRKLLAGV-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.63
Rot. Bonds4

About 4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide

4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide (PubChem CID 79777228) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide
PubChem CID79777228
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H14N2O3S2/c1-9-7-19-8-12(9)13(16)15-6-10-2-4-11(5-3-10)20(14,17)18/h2-5,7-8H,6H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyQWZKBJLRKLLAGV-UHFFFAOYSA-N
XLogP1.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
4-methoxy-2,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110763175
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 66335292
1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 17248737
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
5-methoxy-2-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 146043450
5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 146074874
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide (CID 79777228) is 4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide is Cc1cscc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide?
The InChIKey is QWZKBJLRKLLAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-9-7-19-8-12(9)13(16)15-6-10-2-4-11(5-3-10)20(14,17)18/h2-5,7-8H,6H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide?
4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79777228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).