N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide

C14H20N2O2S — CID 94671225

IUPACN-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)N[C@@H](C)c1ccc(SC)cc1
InChIInChI=1S/C14H20N2O2S/c1-4-13(17)15-9-14(18)16-10(2)11-5-7-12(19-3)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeyGHFWKKMHGMCLLW-JTQLQIEISA-N
MW280.39 g/mol
LogP2.11
Rot. Bonds6

About N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide

N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide (PubChem CID 94671225) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide
PubChem CID94671225
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)N[C@@H](C)c1ccc(SC)cc1
InChIInChI=1S/C14H20N2O2S/c1-4-13(17)15-9-14(18)16-10(2)11-5-7-12(19-3)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeyGHFWKKMHGMCLLW-JTQLQIEISA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]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-cyano-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 14883609
N-[1-(4-methylsulfanylphenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79285008
6-[1-(4-methylsulfanylphenyl)ethylamino]-6-oxohexanoic acid
CID 60942052
2-[2-[1-(4-methylsulfanylphenyl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 113427697
(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 78971913
2-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43698352
N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide
CID 95296945
2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide
CID 65224904
2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 64683625
2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate
CID 79346209
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 38917364
N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
CID 47205693

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide?
The IUPAC name of N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide (CID 94671225) is N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide is CCC(=O)NCC(=O)N[C@@H](C)c1ccc(SC)cc1.
What is the InChIKey of N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide?
The InChIKey is GHFWKKMHGMCLLW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-13(17)15-9-14(18)16-10(2)11-5-7-12(19-3)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide?
N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide has a molecular weight of 280.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 94671225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).