4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide

C13H14N2O4S2 — CID 81119223

IUPAC4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C13H14N2O4S2/c1-15(13(16)12-7-10(19-2)8-20-12)9-3-5-11(6-4-9)21(14,17)18/h3-8H,1-2H3,(H2,14,17,18)
InChIKeyOJPHHXUGLUKLEL-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.68
Rot. Bonds4

About 4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide

4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide (PubChem CID 81119223) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
PubChem CID81119223
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C13H14N2O4S2/c1-15(13(16)12-7-10(19-2)8-20-12)9-3-5-11(6-4-9)21(14,17)18/h3-8H,1-2H3,(H2,14,17,18)
InChIKeyOJPHHXUGLUKLEL-UHFFFAOYSA-N
XLogP1.68
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 79459948
N-(3-hydroxyphenyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 107735872
N-(2,6-dichlorophenyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 71910459
N-methyl-N-(4-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 65215734
N,4-dimethyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
CID 61129613
N-methyl-N-(4-sulfamoylphenyl)thiadiazole-4-carboxamide
CID 65216023
N,4-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 61129425
N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 81124563
N,N-bis(2-hydroxyethyl)-4-methoxythiophene-2-carboxamide
CID 81122072
N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 81116579
(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81127058
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide (CID 81119223) is 4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide is COc1csc(C(=O)N(C)c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide?
The InChIKey is OJPHHXUGLUKLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-15(13(16)12-7-10(19-2)8-20-12)9-3-5-11(6-4-9)21(14,17)18/h3-8H,1-2H3,(H2,14,17,18).
What are the key properties of 4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide?
4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 81119223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).