2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide

C15H14FNO3S — CID 63793167

IUPAC2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CS(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO3S/c1-20-13-4-2-3-12(9-13)17-15(18)10-21(19)14-7-5-11(16)6-8-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyGQCSKEFLTDDNCS-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.58
Rot. Bonds5

About 2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide

2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide (PubChem CID 63793167) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide
PubChem CID63793167
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CS(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO3S/c1-20-13-4-2-3-12(9-13)17-15(18)10-21(19)14-7-5-11(16)6-8-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyGQCSKEFLTDDNCS-UHFFFAOYSA-N
XLogP2.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(R)-(3-fluorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 71283163
2-[2-(3-methoxyanilino)-2-oxoethyl]sulfinyl-2-methylpropanoic acid
CID 81230078
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-(3-methoxyphenyl)-3-oxopropanamide;tungsten
CID 155694701
3-[2-(3-methoxyanilino)-2-oxoethyl]sulfinyl-2-methylpropanoic acid
CID 64915166
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 47023736
2-(2,5-difluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 28574559
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide (CID 63793167) is 2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CS(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is GQCSKEFLTDDNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-20-13-4-2-3-12(9-13)17-15(18)10-21(19)14-7-5-11(16)6-8-14/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide?
2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 63793167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).