4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid

C13H15NO4S3 — CID 102748355

IUPAC4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccsc1CN(C)S(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C13H15NO4S3/c1-8-4-5-19-10(8)6-14(3)21(17,18)12-9(2)7-20-11(12)13(15)16/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyMBKQXOCREWCPIU-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.95
Rot. Bonds5

About 4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid

4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 102748355) has the molecular formula C13H15NO4S3 and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID102748355
Molecular FormulaC13H15NO4S3
Molecular Weight345.47 g/mol
Exact Mass345.02
IUPAC Name4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccsc1CN(C)S(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C13H15NO4S3/c1-8-4-5-19-10(8)6-14(3)21(17,18)12-9(2)7-20-11(12)13(15)16/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyMBKQXOCREWCPIU-UHFFFAOYSA-N
XLogP2.95
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid
CID 60951268
3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748866
2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 51183787
3-[(4-methoxy-4-oxobutyl)-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748387
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 51183764
4-bromo-2,6-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 60652341
N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 60700177
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748081
2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 81435953
3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747558
N,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-5-nitrobenzenesulfonamide
CID 51249162
3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748996

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid (CID 102748355) is 4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid is Cc1ccsc1CN(C)S(=O)(=O)c1c(C)csc1C(=O)O.
What is the InChIKey of 4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is MBKQXOCREWCPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S3/c1-8-4-5-19-10(8)6-14(3)21(17,18)12-9(2)7-20-11(12)13(15)16/h4-5,7H,6H2,1-3H3,(H,15,16).
What are the key properties of 4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 345.47 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 102748355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).