3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide

C21H26N2O3S — CID 38766166

IUPAC3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
SMILESCCOc1ccccc1CCC(=O)N(C)CC(=O)Nc1ccccc1SC
InChIInChI=1S/C21H26N2O3S/c1-4-26-18-11-7-5-9-16(18)13-14-21(25)23(2)15-20(24)22-17-10-6-8-12-19(17)27-3/h5-12H,4,13-15H2,1-3H3,(H,22,24)
InChIKeyKBRCJBXVXYZZHS-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.84
Rot. Bonds9

About 3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide

3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide (PubChem CID 38766166) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
PubChem CID38766166
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
SMILESCCOc1ccccc1CCC(=O)N(C)CC(=O)Nc1ccccc1SC
InChIInChI=1S/C21H26N2O3S/c1-4-26-18-11-7-5-9-16(18)13-14-21(25)23(2)15-20(24)22-17-10-6-8-12-19(17)27-3/h5-12H,4,13-15H2,1-3H3,(H,22,24)
InChIKeyKBRCJBXVXYZZHS-UHFFFAOYSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-naphthalen-1-yloxybutanamide
CID 55718491
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide
CID 38764417
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide
CID 55388712
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 51181026
3-(2-ethoxyphenyl)-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55811040
4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 7928453
N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9417092
N-methyl-4-(3-methylphenoxy)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]butanamide
CID 40689264
2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 7780054
2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 2574524
2-[[2-[benzyl(methyl)amino]acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 51223505

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide (CID 38766166) is 3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide is CCOc1ccccc1CCC(=O)N(C)CC(=O)Nc1ccccc1SC.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
The InChIKey is KBRCJBXVXYZZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-26-18-11-7-5-9-16(18)13-14-21(25)23(2)15-20(24)22-17-10-6-8-12-19(17)27-3/h5-12H,4,13-15H2,1-3H3,(H,22,24).
What are the key properties of 3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide?
3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide has a molecular weight of 386.52 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 38766166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).