N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide

C19H22N2O2S — CID 9417071

IUPACN,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C19H22N2O2S/c1-13-9-10-15(11-14(13)2)19(23)21(3)12-18(22)20-16-7-5-6-8-17(16)24-4/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyWPMRJKINMOWLJV-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.74
Rot. Bonds5

About N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide

N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide (PubChem CID 9417071) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
PubChem CID9417071
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C19H22N2O2S/c1-13-9-10-15(11-14(13)2)19(23)21(3)12-18(22)20-16-7-5-6-8-17(16)24-4/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyWPMRJKINMOWLJV-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9416977
3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 55688009
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417009
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide
CID 38765472
N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide
CID 38769399
2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 2568683
4-chloro-2-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38768863
N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9417092
2-chloro-4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38765269
3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9416961

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The IUPAC name of N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide (CID 9417071) is N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide is CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The InChIKey is WPMRJKINMOWLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-9-10-15(11-14(13)2)19(23)21(3)12-18(22)20-16-7-5-6-8-17(16)24-4/h5-11H,12H2,1-4H3,(H,20,22).
What are the key properties of N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide has a molecular weight of 342.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9417071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).