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

C20H25N3O3S — CID 7986544

IUPAC(2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1SC
InChIInChI=1S/C20H25N3O3S/c1-14(20(25)22-15-9-5-7-11-17(15)26-3)23(2)13-19(24)21-16-10-6-8-12-18(16)27-4/h5-12,14H,13H2,1-4H3,(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeyZHXZSZSBHSLPKH-CQSZACIVSA-N
MW387.51 g/mol
LogP3.31
Rot. Bonds8

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

(2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 7986544) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is (2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
PubChem CID7986544
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name(2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1SC
InChIInChI=1S/C20H25N3O3S/c1-14(20(25)22-15-9-5-7-11-17(15)26-3)23(2)13-19(24)21-16-10-6-8-12-18(16)27-4/h5-12,14H,13H2,1-4H3,(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeyZHXZSZSBHSLPKH-CQSZACIVSA-N
XLogP3.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(2-methoxyphenyl)-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

2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 46561666
N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 17437130
(2R)-N-ethyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 8814350
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 25442603
(2R)-N-(methylcarbamoyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 9105046
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-fluorophenyl)propanamide
CID 51167338
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
N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351529
2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 42911817
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 8517845
methyl 4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoylamino]methyl]benzoate
CID 46561757

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of (2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide (CID 7986544) is (2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for (2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide is COc1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1SC.
What is the InChIKey of (2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is ZHXZSZSBHSLPKH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14(20(25)22-15-9-5-7-11-17(15)26-3)23(2)13-19(24)21-16-10-6-8-12-18(16)27-4/h5-12,14H,13H2,1-4H3,(H,21,24)(H,22,25)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
(2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 387.51 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 7986544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).