3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide

C17H16Cl2N2O2S — CID 9417026

IUPAC3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-21(17(23)11-7-12(18)9-13(19)8-11)10-16(22)20-14-5-3-4-6-15(14)24-2/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyNKZYHYLZQOTFIQ-UHFFFAOYSA-N
MW383.30 g/mol
LogP4.43
Rot. Bonds5

About 3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide

3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide (PubChem CID 9417026) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
PubChem CID9417026
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC Name3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-21(17(23)11-7-12(18)9-13(19)8-11)10-16(22)20-14-5-3-4-6-15(14)24-2/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyNKZYHYLZQOTFIQ-UHFFFAOYSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38768863
N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417071
4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417009
2-chloro-4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38765269
2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 2568683
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide
CID 38765472
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
N,2,4,5-tetramethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide
CID 38769399
3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 55688009
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 38768902

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide (CID 9417026) is 3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide is CSc1ccccc1NC(=O)CN(C)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The InChIKey is NKZYHYLZQOTFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c1-21(17(23)11-7-12(18)9-13(19)8-11)10-16(22)20-14-5-3-4-6-15(14)24-2/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of 3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide has a molecular weight of 383.30 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9417026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).