2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide

C16H16FNO2S — CID 7697455

IUPAC2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccccc1F
InChIInChI=1S/C16H16FNO2S/c1-20-14-8-4-2-6-12(14)10-18-16(19)11-21-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyDTHVOSTWWJMTSQ-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.24
Rot. Bonds6

About 2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide

2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 7697455) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID7697455
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccccc1F
InChIInChI=1S/C16H16FNO2S/c1-20-14-8-4-2-6-12(14)10-18-16(19)11-21-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyDTHVOSTWWJMTSQ-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 9417849
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 46586301
2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 43299053
N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946915
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7703122
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 18098876
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046111
N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide
CID 9404793
N-[(2-fluorophenyl)methyl]-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 9341206

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide (CID 7697455) is 2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is DTHVOSTWWJMTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-20-14-8-4-2-6-12(14)10-18-16(19)11-21-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 305.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 7697455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).