5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide

C13H13BrN2O3S2 — CID 34646544

IUPAC5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2csc(Br)c2)c1
InChIInChI=1S/C13H13BrN2O3S2/c1-15-21(18,19)11-4-2-3-9(5-11)7-16-13(17)10-6-12(14)20-8-10/h2-6,8,15H,7H2,1H3,(H,16,17)
InChIKeyWUIPWEAEWMENAS-UHFFFAOYSA-N
MW389.30 g/mol
LogP2.35
Rot. Bonds5

About 5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide

5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide (PubChem CID 34646544) has the molecular formula C13H13BrN2O3S2 and a molecular weight of 389.30 g/mol. Its IUPAC name is 5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide
PubChem CID34646544
Molecular FormulaC13H13BrN2O3S2
Molecular Weight389.30 g/mol
Exact Mass387.96
IUPAC Name5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2csc(Br)c2)c1
InChIInChI=1S/C13H13BrN2O3S2/c1-15-21(18,19)11-4-2-3-9(5-11)7-16-13(17)10-6-12(14)20-8-10/h2-6,8,15H,7H2,1H3,(H,16,17)
InChIKeyWUIPWEAEWMENAS-UHFFFAOYSA-N
XLogP2.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55656473
1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55851572
N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38970613
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 55884476
4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 34637912
5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 43424452
5-ethyl-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55656221
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide
CID 34640507
2-methyl-1-[[3-(methylsulfamoyl)phenyl]methyl]guanidine
CID 110915238
1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
CID 34640881
N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide
CID 38971731
3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55656434

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide (CID 34646544) is 5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide is CNS(=O)(=O)c1cccc(CNC(=O)c2csc(Br)c2)c1.
What is the InChIKey of 5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide?
The InChIKey is WUIPWEAEWMENAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S2/c1-15-21(18,19)11-4-2-3-9(5-11)7-16-13(17)10-6-12(14)20-8-10/h2-6,8,15H,7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide?
5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide has a molecular weight of 389.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 34646544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).