N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide

C16H15F2NOS — CID 78892562

IUPACN-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCCc2c(F)cccc2F)cc1
InChIInChI=1S/C16H15F2NOS/c1-21-12-7-5-11(6-8-12)16(20)19-10-9-13-14(17)3-2-4-15(13)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyILRDJOWJRPYFCO-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.66
Rot. Bonds5

About N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide

N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide (PubChem CID 78892562) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide
PubChem CID78892562
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC NameN-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCCc2c(F)cccc2F)cc1
InChIInChI=1S/C16H15F2NOS/c1-21-12-7-5-11(6-8-12)16(20)19-10-9-13-14(17)3-2-4-15(13)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyILRDJOWJRPYFCO-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 111451310
N-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 60547662
N-(5-bromopentyl)-4-methylsulfanylbenzamide
CID 107322033
4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78791752
N-(3-aminobutyl)-4-methylsulfanylbenzamide
CID 54425720
1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47329826
4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide
CID 112733928
N-(4-chloropentyl)-4-methylsulfanylbenzamide
CID 106130096
(2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone
CID 114973538
4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide
CID 9153985
N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide
CID 103861588
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide (CID 78892562) is N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)NCCc2c(F)cccc2F)cc1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide?
The InChIKey is ILRDJOWJRPYFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c1-21-12-7-5-11(6-8-12)16(20)19-10-9-13-14(17)3-2-4-15(13)18/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide?
N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide has a molecular weight of 307.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 78892562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).