2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide

C19H22FNO2S — CID 90599137

IUPAC2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
SMILESCCSc1ccccc1C(=O)NCC(C)(OC)c1ccccc1F
InChIInChI=1S/C19H22FNO2S/c1-4-24-17-12-8-5-9-14(17)18(22)21-13-19(2,23-3)15-10-6-7-11-16(15)20/h5-12H,4,13H2,1-3H3,(H,21,22)
InChIKeyKVDGQTAUGITIJW-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.23
Rot. Bonds7

About 2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide

2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide (PubChem CID 90599137) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
PubChem CID90599137
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
SMILESCCSc1ccccc1C(=O)NCC(C)(OC)c1ccccc1F
InChIInChI=1S/C19H22FNO2S/c1-4-24-17-12-8-5-9-14(17)18(22)21-13-19(2,23-3)15-10-6-7-11-16(15)20/h5-12H,4,13H2,1-3H3,(H,21,22)
InChIKeyKVDGQTAUGITIJW-UHFFFAOYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16341507
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CID 2801931
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 41030447
(2-(Methylthio)phenyl)(2-(4-(trifluoromethyl)phenyl)morpholino)methanone
CID 56763881
2-(methylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 56764210
N-[2-(2-Fluorophenyl)-2-methoxypropyl]thiophene-3-carboxamide
CID 71810601
4-(N,N-dimethylsulfamoyl)-N-(2-(2-fluorophenyl)-2-methoxypropyl)benzamide
CID 71810641
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
N-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide
CID 71810741
2-(ethylthio)-N-(2-(3-fluorophenyl)-2-methoxyethyl)benzamide
CID 73168390
N-(2-(2-fluorophenyl)-2-methoxypropyl)benzo[b]thiophene-2-carboxamide
CID 90599210
N-[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl]o-fluorobenzamide
CID 97417380

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide (CID 90599137) is 2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide is CCSc1ccccc1C(=O)NCC(C)(OC)c1ccccc1F.
What is the InChIKey of 2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide?
The InChIKey is KVDGQTAUGITIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-4-24-17-12-8-5-9-14(17)18(22)21-13-19(2,23-3)15-10-6-7-11-16(15)20/h5-12H,4,13H2,1-3H3,(H,21,22).
What are the key properties of 2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide?
2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide has a molecular weight of 347.46 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide is sourced from PubChem (CID 90599137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).