3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C20H23N3O3S — CID 9416961

IUPAC3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C20H23N3O3S/c1-14-7-6-8-15(11-14)20(26)21-12-19(25)23(2)13-18(24)22-16-9-4-5-10-17(16)27-3/h4-11H,12-13H2,1-3H3,(H,21,26)(H,22,24)
InChIKeyHPTYJKYTVJZEHD-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.54
Rot. Bonds7

About 3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 9416961) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID9416961
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C20H23N3O3S/c1-14-7-6-8-15(11-14)20(26)21-12-19(25)23(2)13-18(24)22-16-9-4-5-10-17(16)27-3/h4-11H,12-13H2,1-3H3,(H,21,26)(H,22,24)
InChIKeyHPTYJKYTVJZEHD-UHFFFAOYSA-N
XLogP2.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9416977
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364103
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
N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 62334553
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417071
2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 7780054
N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176
N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9411308
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 9416961) is 3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is CSc1ccccc1NC(=O)CN(C)C(=O)CNC(=O)c1cccc(C)c1.
What is the InChIKey of 3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is HPTYJKYTVJZEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-14-7-6-8-15(11-14)20(26)21-12-19(25)23(2)13-18(24)22-16-9-4-5-10-17(16)27-3/h4-11H,12-13H2,1-3H3,(H,21,26)(H,22,24).
What are the key properties of 3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 385.49 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9416961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).