(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid

C12H19NO4S2 — CID 61454349

IUPAC(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
SMILESCCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)s1
InChIInChI=1S/C12H19NO4S2/c1-4-9-5-6-11(18-9)19(16,17)13-10(12(14)15)7-8(2)3/h5-6,8,10,13H,4,7H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyWQKLQBYQYPWWIP-JTQLQIEISA-N
MW305.42 g/mol
LogP2.09
Rot. Bonds7

About (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid

(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 61454349) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
PubChem CID61454349
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC Name(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
SMILESCCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)s1
InChIInChI=1S/C12H19NO4S2/c1-4-9-5-6-11(18-9)19(16,17)13-10(12(14)15)7-8(2)3/h5-6,8,10,13H,4,7H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyWQKLQBYQYPWWIP-JTQLQIEISA-N
XLogP2.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic 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

(2R)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 78975611
2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 54947261
2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 54947368
4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid
CID 61072627
5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide
CID 110351436
(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 61454387
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 82780936
5-ethyl-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]thiophene-2-sulfonamide
CID 110351659
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 61072333
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid
CID 81077958
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
CID 61063154
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid (CID 61454349) is (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid is CCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)s1.
What is the InChIKey of (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is WQKLQBYQYPWWIP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-4-9-5-6-11(18-9)19(16,17)13-10(12(14)15)7-8(2)3/h5-6,8,10,13H,4,7H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid?
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 305.42 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 61454349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).