2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide

C15H24N2O2S — CID 120989080

IUPAC2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide
SMILESCOCC(N)C(=O)NC(C)c1ccc(SC(C)C)cc1
InChIInChI=1S/C15H24N2O2S/c1-10(2)20-13-7-5-12(6-8-13)11(3)17-15(18)14(16)9-19-4/h5-8,10-11,14H,9,16H2,1-4H3,(H,17,18)
InChIKeyKNYFZHRBJNJUHG-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.34
Rot. Bonds7

About 2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide

2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide (PubChem CID 120989080) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide
PubChem CID120989080
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide
SMILESCOCC(N)C(=O)NC(C)c1ccc(SC(C)C)cc1
InChIInChI=1S/C15H24N2O2S/c1-10(2)20-13-7-5-12(6-8-13)11(3)17-15(18)14(16)9-19-4/h5-8,10-11,14H,9,16H2,1-4H3,(H,17,18)
InChIKeyKNYFZHRBJNJUHG-UHFFFAOYSA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide 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-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920
2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide
CID 81083669
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983262
2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide
CID 81350017
2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363996
2-amino-3-methoxy-N-(1-methoxypropan-2-yl)propanamide
CID 81082109
2-amino-3-methoxy-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 120990758
3-amino-4-[1-(4-methylsulfanylphenyl)ethylamino]-4-oxobutanoic acid
CID 64894329
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
CID 120983404
2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 81363764

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide (CID 120989080) is 2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide is COCC(N)C(=O)NC(C)c1ccc(SC(C)C)cc1.
What is the InChIKey of 2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide?
The InChIKey is KNYFZHRBJNJUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10(2)20-13-7-5-12(6-8-13)11(3)17-15(18)14(16)9-19-4/h5-8,10-11,14H,9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide?
2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide has a molecular weight of 296.44 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide is sourced from PubChem (CID 120989080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).