2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid

C12H17NO4S2 — CID 104654990

IUPAC2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESC=CCCCN(C)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H17NO4S2/c1-3-4-5-8-13(2)19(16,17)12-7-6-10(18-12)9-11(14)15/h3,6-7H,1,4-5,8-9H2,2H3,(H,14,15)
InChIKeyLZUTWFZFCKOOOV-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.96
Rot. Bonds8

About 2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 104654990) has the molecular formula C12H17NO4S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID104654990
Molecular FormulaC12H17NO4S2
Molecular Weight303.41 g/mol
Exact Mass303.06
IUPAC Name2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESC=CCCCN(C)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H17NO4S2/c1-3-4-5-8-13(2)19(16,17)12-7-6-10(18-12)9-11(14)15/h3,6-7H,1,4-5,8-9H2,2H3,(H,14,15)
InChIKeyLZUTWFZFCKOOOV-UHFFFAOYSA-N
XLogP1.96
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 79488468
2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid
CID 79386899
2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 102991763
5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid
CID 113437786
2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 45299021
2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61221699
4-[(5-bromothiophen-2-yl)sulfonyl-methylamino]butanoic acid
CID 43090805
2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43213263
2-bromo-5-[methyl(pent-4-enyl)sulfamoyl]benzoic acid
CID 104654962
5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
CID 107202942
2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61221701
2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]benzoic acid
CID 104654967

Frequently Asked Questions

What is the IUPAC name of 2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 104654990) is 2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid is C=CCCCN(C)S(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is LZUTWFZFCKOOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-3-4-5-8-13(2)19(16,17)12-7-6-10(18-12)9-11(14)15/h3,6-7H,1,4-5,8-9H2,2H3,(H,14,15).
What are the key properties of 2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 303.41 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 104654990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).