N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide

C16H16FNOS — CID 47148805

IUPACN-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)Nc2cc(C)ccc2F)c1
InChIInChI=1S/C16H16FNOS/c1-10-4-7-14(17)15(8-10)18-16(19)13-9-12(20-3)6-5-11(13)2/h4-9H,1-3H3,(H,18,19)
InChIKeyVUPVZNRZRMIQDD-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.42
Rot. Bonds3

About N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide

N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide (PubChem CID 47148805) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide
PubChem CID47148805
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)Nc2cc(C)ccc2F)c1
InChIInChI=1S/C16H16FNOS/c1-10-4-7-14(17)15(8-10)18-16(19)13-9-12(20-3)6-5-11(13)2/h4-9H,1-3H3,(H,18,19)
InChIKeyVUPVZNRZRMIQDD-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 2995158
4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide
CID 112702327
N-(5-chloro-2-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 79770803
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 28881843
N-(2-fluoro-5-methylphenyl)-2-hydrazinylbenzamide
CID 62243099
2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide
CID 2527802
2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide
CID 51166452
N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide
CID 26881977
N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide
CID 107021979
5-chloro-2-(ethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 62166155
3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740428

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide (CID 47148805) is N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide is CSc1ccc(C)c(C(=O)Nc2cc(C)ccc2F)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is VUPVZNRZRMIQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-10-4-7-14(17)15(8-10)18-16(19)13-9-12(20-3)6-5-11(13)2/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide?
N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 47148805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).