2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide

C17H16F2N2O2S — CID 2568683

IUPAC2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O2S/c1-21(17(23)12-8-7-11(18)9-13(12)19)10-16(22)20-14-5-3-4-6-15(14)24-2/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyNYDYGPHGRMRMKQ-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.40
Rot. Bonds5

About 2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide

2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide (PubChem CID 2568683) has the molecular formula C17H16F2N2O2S and a molecular weight of 350.39 g/mol. Its IUPAC name is 2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
PubChem CID2568683
Molecular FormulaC17H16F2N2O2S
Molecular Weight350.39 g/mol
Exact Mass350.09
IUPAC Name2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O2S/c1-21(17(23)12-8-7-11(18)9-13(12)19)10-16(22)20-14-5-3-4-6-15(14)24-2/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyNYDYGPHGRMRMKQ-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.40
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
2-chloro-4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38765269
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 38769661
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide
CID 38765472
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 17413852
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 38488734
2-(3-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 38763351
N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417071
5-(2-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 38488991
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-N-methylbenzamide
CID 2502921

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide (CID 2568683) is 2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide is CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The InChIKey is NYDYGPHGRMRMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2S/c1-21(17(23)12-8-7-11(18)9-13(12)19)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 2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide has a molecular weight of 350.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 2568683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).