2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid

C14H20N2O3S — CID 3281721

IUPAC2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
SMILESCCc1ccccc1NC(=O)NC(CCSC)C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-3-10-6-4-5-7-11(10)15-14(19)16-12(13(17)18)8-9-20-2/h4-7,12H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyGEIAEWSQYAVNEH-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.58
Rot. Bonds7

About 2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid

2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid (PubChem CID 3281721) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
PubChem CID3281721
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
SMILESCCc1ccccc1NC(=O)NC(CCSC)C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-3-10-6-4-5-7-11(10)15-14(19)16-12(13(17)18)8-9-20-2/h4-7,12H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyGEIAEWSQYAVNEH-UHFFFAOYSA-N
XLogP2.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic 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-[(2-bromophenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61190148
(2S)-2-[(2-ethylphenyl)carbamoylamino]hexanoic acid
CID 107145410
2-[(2,3-dimethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 3693101
2-[(2-ethyl-6-methylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61182358
2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480074
2-[(3-bromo-2-methylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 107627451
(2R)-2-[(2-ethylbenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 104906144
(2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide
CID 22691889
(2R)-2-[(2-cyano-3-fluorophenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104909928
(2R)-2-[(2,4-dibromophenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910045
(2S)-2-[[4-(dimethylamino)phenyl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61203719
(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid
CID 107566509

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid?
The IUPAC name of 2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid (CID 3281721) is 2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for 2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid is CCc1ccccc1NC(=O)NC(CCSC)C(=O)O.
What is the InChIKey of 2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid?
The InChIKey is GEIAEWSQYAVNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-10-6-4-5-7-11(10)15-14(19)16-12(13(17)18)8-9-20-2/h4-7,12H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid?
2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid has a molecular weight of 296.39 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 3281721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).