3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide

C21H27N3O3S — CID 55482070

IUPAC3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccccc1SC)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C21H27N3O3S/c1-4-24(15-21(26)22-16-9-5-7-11-18(16)27-2)14-13-20(25)23-17-10-6-8-12-19(17)28-3/h5-12H,4,13-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyXDDZXZNUDYCEHY-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.71
Rot. Bonds10

About 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide

3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 55482070) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
PubChem CID55482070
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccccc1SC)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C21H27N3O3S/c1-4-24(15-21(26)22-16-9-5-7-11-18(16)27-2)14-13-20(25)23-17-10-6-8-12-19(17)28-3/h5-12H,4,13-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyXDDZXZNUDYCEHY-UHFFFAOYSA-N
XLogP3.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 115669636
(2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 7986544
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18151902
3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 78768134
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 60674387
2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 46561149
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
3-[[2-(2-methoxyanilino)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326650
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide (CID 55482070) is 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide is CCN(CCC(=O)Nc1ccccc1SC)CC(=O)Nc1ccccc1OC.
What is the InChIKey of 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is XDDZXZNUDYCEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-4-24(15-21(26)22-16-9-5-7-11-18(16)27-2)14-13-20(25)23-17-10-6-8-12-19(17)28-3/h5-12H,4,13-15H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide?
3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 401.53 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 55482070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).