2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide

C21H27N3O2S — CID 9104815

IUPAC2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccccc1SC
InChIInChI=1S/C21H27N3O2S/c1-5-16-10-8-9-15(2)21(16)23-20(26)14-24(3)13-19(25)22-17-11-6-7-12-18(17)27-4/h6-12H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyAWKXOUPZXMFDQW-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.79
Rot. Bonds8

About 2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide

2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 9104815) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID9104815
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccccc1SC
InChIInChI=1S/C21H27N3O2S/c1-5-16-10-8-9-15(2)21(16)23-20(26)14-24(3)13-19(25)22-17-11-6-7-12-18(17)27-4/h6-12H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyAWKXOUPZXMFDQW-UHFFFAOYSA-N
XLogP3.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 38211944
N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid
CID 15945235
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
N-(2,6-diethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964124
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 40714282
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240
N-(2,6-diethylphenyl)-2-[ethyl(methyl)amino]acetamide
CID 60516664
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
2-[cyanomethyl(methyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 38214269
2-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9105247
N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 9105977

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide (CID 9104815) is 2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccccc1SC.
What is the InChIKey of 2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is AWKXOUPZXMFDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-5-16-10-8-9-15(2)21(16)23-20(26)14-24(3)13-19(25)22-17-11-6-7-12-18(17)27-4/h6-12H,5,13-14H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 385.53 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 9104815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).