2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid

C10H12F3NO4S2 — CID 139003959

IUPAC2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid
SMILESCc1cc(S(=O)(=O)NC(CC(F)(F)F)C(=O)O)sc1C
InChIInChI=1S/C10H12F3NO4S2/c1-5-3-8(19-6(5)2)20(17,18)14-7(9(15)16)4-10(11,12)13/h3,7,14H,4H2,1-2H3,(H,15,16)
InChIKeyXBWZDDHJKBQTGK-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.05
Rot. Bonds5

About 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid

2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid (PubChem CID 139003959) has the molecular formula C10H12F3NO4S2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid
PubChem CID139003959
Molecular FormulaC10H12F3NO4S2
Molecular Weight331.34 g/mol
Exact Mass331.02
IUPAC Name2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid
SMILESCc1cc(S(=O)(=O)NC(CC(F)(F)F)C(=O)O)sc1C
InChIInChI=1S/C10H12F3NO4S2/c1-5-3-8(19-6(5)2)20(17,18)14-7(9(15)16)4-10(11,12)13/h3,7,14H,4H2,1-2H3,(H,15,16)
InChIKeyXBWZDDHJKBQTGK-UHFFFAOYSA-N
XLogP2.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic 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-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 122067984
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 79987764
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 79989177
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 103099643
2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid
CID 166266131
(2R)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]hexanedioic acid
CID 107266594
(2R)-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanedioic acid
CID 107266601
2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid
CID 167953223
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid
CID 80577604
(2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933846
3-methyl-5-(2,2,2-trifluoroethoxysulfamoyl)thiophene-2-carboxylic acid
CID 82707235
3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314392

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid (CID 139003959) is 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid is Cc1cc(S(=O)(=O)NC(CC(F)(F)F)C(=O)O)sc1C.
What is the InChIKey of 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid?
The InChIKey is XBWZDDHJKBQTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4S2/c1-5-3-8(19-6(5)2)20(17,18)14-7(9(15)16)4-10(11,12)13/h3,7,14H,4H2,1-2H3,(H,15,16).
What are the key properties of 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid?
2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid has a molecular weight of 331.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 139003959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).