(2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide

C15H23N3O2S — CID 8814350

IUPAC(2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
SMILESCCNC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1SC
InChIInChI=1S/C15H23N3O2S/c1-5-16-15(20)11(2)18(3)10-14(19)17-12-8-6-7-9-13(12)21-4/h6-9,11H,5,10H2,1-4H3,(H,16,20)(H,17,19)/t11-/m1/s1
InChIKeyQFPVFMKXPIWCIU-LLVKDONJSA-N
MW309.44 g/mol
LogP1.80
Rot. Bonds7

About (2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide

(2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 8814350) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
PubChem CID8814350
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
SMILESCCNC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1SC
InChIInChI=1S/C15H23N3O2S/c1-5-16-15(20)11(2)18(3)10-14(19)17-12-8-6-7-9-13(12)21-4/h6-9,11H,5,10H2,1-4H3,(H,16,20)(H,17,19)/t11-/m1/s1
InChIKeyQFPVFMKXPIWCIU-LLVKDONJSA-N
XLogP1.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]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

(2R)-N-(methylcarbamoyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 9105046
(2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 7986544
methyl 4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoylamino]methyl]benzoate
CID 46561757
N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 4879334
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 78676271
(2S)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348098
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(1-phenylbutyl)propanamide
CID 60516440
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)propanamide
CID 51167467
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46561779
(2S)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8815206
[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 8814361
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of (2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide (CID 8814350) is (2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for (2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide is CCNC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1SC.
What is the InChIKey of (2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is QFPVFMKXPIWCIU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-5-16-15(20)11(2)18(3)10-14(19)17-12-8-6-7-9-13(12)21-4/h6-9,11H,5,10H2,1-4H3,(H,16,20)(H,17,19)/t11-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
(2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 309.44 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 8814350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).