2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid

C11H15NO5S2 — CID 122108330

IUPAC2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccc(S(C)(=O)=O)s1)C(=O)O
InChIInChI=1S/C11H15NO5S2/c1-3-4-7(11(14)15)12-10(13)8-5-6-9(18-8)19(2,16)17/h5-7H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMKWREAGCWGKADJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.13
Rot. Bonds6

About 2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid

2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid (PubChem CID 122108330) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid
PubChem CID122108330
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Name2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccc(S(C)(=O)=O)s1)C(=O)O
InChIInChI=1S/C11H15NO5S2/c1-3-4-7(11(14)15)12-10(13)8-5-6-9(18-8)19(2,16)17/h5-7H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMKWREAGCWGKADJ-UHFFFAOYSA-N
XLogP1.13
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic 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

5,5-dimethyl-2-[(5-methylsulfonylthiophene-2-carbonyl)amino]hexanoic acid
CID 122109140
(2S)-3-cyclopropyl-2-[(5-methylsulfonylthiophene-2-carbonyl)amino]propanoic acid
CID 129469494
(2S)-2-[(5-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031784
2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43469771
(2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 107563412
(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 107563587
2-[(2-hydroxybenzoyl)amino]pentanoic acid
CID 43630253
2-ethyl-2-[[(5-methylsulfonylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 122108269
2-[(4-chloro-3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 43630484
2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 54947261
(2S)-2-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]pentanoic acid
CID 107564702
2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82787407

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid (CID 122108330) is 2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1ccc(S(C)(=O)=O)s1)C(=O)O.
What is the InChIKey of 2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid?
The InChIKey is MKWREAGCWGKADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-3-4-7(11(14)15)12-10(13)8-5-6-9(18-8)19(2,16)17/h5-7H,3-4H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid?
2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid has a molecular weight of 305.38 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 122108330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).