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

C14H23NO4S2 — CID 102903671

IUPAC4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C14H23NO4S2/c1-8(2)11(9(3)4)6-15-21(18,19)13-10(5)7-20-12(13)14(16)17/h7-9,11,15H,6H2,1-5H3,(H,16,17)
InChIKeyVIOXUBQRSKTFKX-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.96
Rot. Bonds7

About 4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid

4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 102903671) has the molecular formula C14H23NO4S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID102903671
Molecular FormulaC14H23NO4S2
Molecular Weight333.48 g/mol
Exact Mass333.11
IUPAC Name4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C14H23NO4S2/c1-8(2)11(9(3)4)6-15-21(18,19)13-10(5)7-20-12(13)14(16)17/h7-9,11,15H,6H2,1-5H3,(H,16,17)
InChIKeyVIOXUBQRSKTFKX-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid (CID 102903671) is 4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of 4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is VIOXUBQRSKTFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S2/c1-8(2)11(9(3)4)6-15-21(18,19)13-10(5)7-20-12(13)14(16)17/h7-9,11,15H,6H2,1-5H3,(H,16,17).
What are the key properties of 4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid?
4-methyl-3-[(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 4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 102903671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).