N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide

C17H18FNO2S — CID 111565791

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)NCC(O)c2ccccc2F)c1
InChIInChI=1S/C17H18FNO2S/c1-11-7-8-12(22-2)9-14(11)17(21)19-10-16(20)13-5-3-4-6-15(13)18/h3-9,16,20H,10H2,1-2H3,(H,19,21)
InChIKeyDXZQEHJFHXKBLB-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide (PubChem CID 111565791) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide
PubChem CID111565791
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)NCC(O)c2ccccc2F)c1
InChIInChI=1S/C17H18FNO2S/c1-11-7-8-12(22-2)9-14(11)17(21)19-10-16(20)13-5-3-4-6-15(13)18/h3-9,16,20H,10H2,1-2H3,(H,19,21)
InChIKeyDXZQEHJFHXKBLB-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-2-methyl-5-methylsulfanylbenzamide
CID 134018244
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide
CID 97416787
N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide
CID 47149231
2-methoxy-3-[(2-methyl-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 106107843
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578636
N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide
CID 65110031
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-5-methylsulfanylbenzamide
CID 111662633
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 38524721
4-(ethylsulfanylmethyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565953
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 126780932
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 111566028

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide (CID 111565791) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide is CSc1ccc(C)c(C(=O)NCC(O)c2ccccc2F)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is DXZQEHJFHXKBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-11-7-8-12(22-2)9-14(11)17(21)19-10-16(20)13-5-3-4-6-15(13)18/h3-9,16,20H,10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 319.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 111565791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).