3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid

C14H23NO4S2 — CID 102903686

IUPAC3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC(C(C)C)C(C)C)sc1C(=O)O
InChIInChI=1S/C14H23NO4S2/c1-8(2)11(9(3)4)7-15-21(18,19)12-6-10(5)13(20-12)14(16)17/h6,8-9,11,15H,7H2,1-5H3,(H,16,17)
InChIKeyQVIBZYZGRJUHTN-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.96
Rot. Bonds7

About 3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid

3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 102903686) has the molecular formula C14H23NO4S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID102903686
Molecular FormulaC14H23NO4S2
Molecular Weight333.48 g/mol
Exact Mass333.11
IUPAC Name3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC(C(C)C)C(C)C)sc1C(=O)O
InChIInChI=1S/C14H23NO4S2/c1-8(2)11(9(3)4)7-15-21(18,19)12-6-10(5)13(20-12)14(16)17/h6,8-9,11,15H,7H2,1-5H3,(H,16,17)
InChIKeyQVIBZYZGRJUHTN-UHFFFAOYSA-N
XLogP2.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 66170587
5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 63296460
3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314392
3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid
CID 82706091
3-methyl-5-(5-methylhexylsulfamoyl)thiophene-2-carboxylic acid
CID 115325049
3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
CID 43314508
3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 167804098
4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903671
5-(benzylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43314482
5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314407
5-[(4-amino-4-oxobutyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60863201
5-(2-cyanoethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 55102481

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid (CID 102903686) is 3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NCC(C(C)C)C(C)C)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is QVIBZYZGRJUHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S2/c1-8(2)11(9(3)4)7-15-21(18,19)12-6-10(5)13(20-12)14(16)17/h6,8-9,11,15H,7H2,1-5H3,(H,16,17).
What are the key properties of 3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid?
3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 333.48 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 102903686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).