4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

C15H23NO3S — CID 60953759

IUPAC4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCN(Cc1cccs1)C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C15H23NO3S/c1-5-16(10-12-7-6-8-20-12)13(17)9-15(4,11(2)3)14(18)19/h6-8,11H,5,9-10H2,1-4H3,(H,18,19)
InChIKeyOKVSNNPEEWTSFP-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.23
Rot. Bonds7

About 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 60953759) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID60953759
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCN(Cc1cccs1)C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C15H23NO3S/c1-5-16(10-12-7-6-8-20-12)13(17)9-15(4,11(2)3)14(18)19/h6-8,11H,5,9-10H2,1-4H3,(H,18,19)
InChIKeyOKVSNNPEEWTSFP-UHFFFAOYSA-N
XLogP3.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic 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

N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 81087639
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 55097027
N-[1-[ethyl(thiophen-2-ylmethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 134019558
N-ethyl-2-methyl-2-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 62848345
N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide
CID 104502284
tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate
CID 134029504
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 78801765
2-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271522
2-(aminomethyl)-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 65230128

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (CID 60953759) is 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is CCN(Cc1cccs1)C(=O)CC(C)(C(=O)O)C(C)C.
What is the InChIKey of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is OKVSNNPEEWTSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-16(10-12-7-6-8-20-12)13(17)9-15(4,11(2)3)14(18)19/h6-8,11H,5,9-10H2,1-4H3,(H,18,19).
What are the key properties of 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 297.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 60953759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).