5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide

C11H18N2O4S3 — CID 115729501

IUPAC5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCC(C)S(C)=O)cc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O4S3/c1-7(19(3)15)4-5-13-11(14)9-6-10(8(2)18-9)20(12,16)17/h6-7H,4-5H2,1-3H3,(H,13,14)(H2,12,16,17)
InChIKeyMIFVNVNAWUEHOK-UHFFFAOYSA-N
MW338.48 g/mol
LogP0.59
Rot. Bonds6

About 5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide

5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide (PubChem CID 115729501) has the molecular formula C11H18N2O4S3 and a molecular weight of 338.48 g/mol. Its IUPAC name is 5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide
PubChem CID115729501
Molecular FormulaC11H18N2O4S3
Molecular Weight338.48 g/mol
Exact Mass338.04
IUPAC Name5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCC(C)S(C)=O)cc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O4S3/c1-7(19(3)15)4-5-13-11(14)9-6-10(8(2)18-9)20(12,16)17/h6-7H,4-5H2,1-3H3,(H,13,14)(H2,12,16,17)
InChIKeyMIFVNVNAWUEHOK-UHFFFAOYSA-N
XLogP0.59
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(3-methylsulfinylbutyl)-3-sulfamoylbenzamide
CID 115729503
5-methyl-N-(2-methylbutyl)-4-sulfamoylthiophene-2-carboxamide
CID 112676814
N-(2,2-dimethylpropyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 112689693
4-fluoro-N-(3-methylsulfinylbutyl)-3-sulfamoylbenzamide
CID 115729437
N-(2-cyclohexylethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612428
5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide
CID 115729394
N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612435
2-bromo-N-(3-methylsulfinylbutyl)-5-sulfamoylbenzamide
CID 115729445
N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide
CID 112689674
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239032
N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 103839322

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide (CID 115729501) is 5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide is Cc1sc(C(=O)NCCC(C)S(C)=O)cc1S(N)(=O)=O.
What is the InChIKey of 5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide?
The InChIKey is MIFVNVNAWUEHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S3/c1-7(19(3)15)4-5-13-11(14)9-6-10(8(2)18-9)20(12,16)17/h6-7H,4-5H2,1-3H3,(H,13,14)(H2,12,16,17).
What are the key properties of 5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide?
5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 115729501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).