5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide

C13H15N3O3S2 — CID 79611128

IUPAC5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide
SMILESCNS(=O)(=O)c1cccc(NCc2cc(C(N)=O)cs2)c1
InChIInChI=1S/C13H15N3O3S2/c1-15-21(18,19)12-4-2-3-10(6-12)16-7-11-5-9(8-20-11)13(14)17/h2-6,8,15-16H,7H2,1H3,(H2,14,17)
InChIKeyAVXFMSXKECUBQS-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.37
Rot. Bonds6

About 5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide

5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide (PubChem CID 79611128) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide
PubChem CID79611128
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide
SMILESCNS(=O)(=O)c1cccc(NCc2cc(C(N)=O)cs2)c1
InChIInChI=1S/C13H15N3O3S2/c1-15-21(18,19)12-4-2-3-10(6-12)16-7-11-5-9(8-20-11)13(14)17/h2-6,8,15-16H,7H2,1H3,(H2,14,17)
InChIKeyAVXFMSXKECUBQS-UHFFFAOYSA-N
XLogP1.37
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
5-[(3-ethylanilino)methyl]thiophene-3-carboxamide
CID 79606559
5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
CID 79605741
5-[[4-(methanesulfonamido)anilino]methyl]thiophene-3-carboxamide
CID 79611666
5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79614000
3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 43688458
5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
CID 79614007
methyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79613574
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
CID 75385201
5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide
CID 79614134
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide (CID 79611128) is 5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide is CNS(=O)(=O)c1cccc(NCc2cc(C(N)=O)cs2)c1.
What is the InChIKey of 5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide?
The InChIKey is AVXFMSXKECUBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-15-21(18,19)12-4-2-3-10(6-12)16-7-11-5-9(8-20-11)13(14)17/h2-6,8,15-16H,7H2,1H3,(H2,14,17).
What are the key properties of 5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide?
5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79611128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).