2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid

C11H17NO4S2 — CID 54947261

IUPAC2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1ccc(CC)s1)C(=O)O
InChIInChI=1S/C11H17NO4S2/c1-3-5-9(11(13)14)12-18(15,16)10-7-6-8(4-2)17-10/h6-7,9,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyWVQUFXIXHQMQOK-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.84
Rot. Bonds7

About 2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid

2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid (PubChem CID 54947261) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
PubChem CID54947261
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Name2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1ccc(CC)s1)C(=O)O
InChIInChI=1S/C11H17NO4S2/c1-3-5-9(11(13)14)12-18(15,16)10-7-6-8(4-2)17-10/h6-7,9,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyWVQUFXIXHQMQOK-UHFFFAOYSA-N
XLogP1.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-ethylthiophen-2-yl)sulfonylamino]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

2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 54947368
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 82780936
(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 61454387
(2R)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 78975611
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 61454349
4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid
CID 61072627
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid
CID 81077958
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 61072333
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
CID 61063154
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid
CID 61454315
5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 115754871

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid (CID 54947261) is 2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)c1ccc(CC)s1)C(=O)O.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid?
The InChIKey is WVQUFXIXHQMQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-3-5-9(11(13)14)12-18(15,16)10-7-6-8(4-2)17-10/h6-7,9,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid?
2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid has a molecular weight of 291.39 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 54947261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).