2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide

C13H20N2O2S — CID 18126793

IUPAC2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide
SMILESCC(=O)NC(C(=O)NC(C)c1cccs1)C(C)C
InChIInChI=1S/C13H20N2O2S/c1-8(2)12(15-10(4)16)13(17)14-9(3)11-6-5-7-18-11/h5-9,12H,1-4H3,(H,14,17)(H,15,16)
InChIKeyFUCPWOUQNRSVPY-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.09
Rot. Bonds5

About 2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide

2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide (PubChem CID 18126793) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide
PubChem CID18126793
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide
SMILESCC(=O)NC(C(=O)NC(C)c1cccs1)C(C)C
InChIInChI=1S/C13H20N2O2S/c1-8(2)12(15-10(4)16)13(17)14-9(3)11-6-5-7-18-11/h5-9,12H,1-4H3,(H,14,17)(H,15,16)
InChIKeyFUCPWOUQNRSVPY-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide 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

4-chloro-N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]benzamide
CID 51151878
(2S)-3-methyl-2-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
CID 61199612
(2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 93238063
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 81408740
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
CID 112616741
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
5-amino-2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 104685412
(E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide
CID 81409323
N-propan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43398665
(2R)-2-pyrazol-1-yl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 35699099

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide?
The IUPAC name of 2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide (CID 18126793) is 2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide is CC(=O)NC(C(=O)NC(C)c1cccs1)C(C)C.
What is the InChIKey of 2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide?
The InChIKey is FUCPWOUQNRSVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-8(2)12(15-10(4)16)13(17)14-9(3)11-6-5-7-18-11/h5-9,12H,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide?
2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide has a molecular weight of 268.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 18126793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).