2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide

C19H20FNO3S — CID 31482762

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2ccc(C(C)=O)cc2F)cc1
InChIInChI=1S/C19H20FNO3S/c1-13(22)15-5-8-18(17(20)11-15)25-12-19(23)21-10-9-14-3-6-16(24-2)7-4-14/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyFTYXPOOVHDTBID-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.49
Rot. Bonds8

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 31482762) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID31482762
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2ccc(C(C)=O)cc2F)cc1
InChIInChI=1S/C19H20FNO3S/c1-13(22)15-5-8-18(17(20)11-15)25-12-19(23)21-10-9-14-3-6-16(24-2)7-4-14/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyFTYXPOOVHDTBID-UHFFFAOYSA-N
XLogP3.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 51146548
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 55918586
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51142957
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
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2-(2,3-dihydroxypropylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 79682657
2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 99152330
2-(3-aminobutylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 66233283
2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 9046240
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
methyl 4-[[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]methyl]benzoate
CID 9046148

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 31482762) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CSc2ccc(C(C)=O)cc2F)cc1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is FTYXPOOVHDTBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-13(22)15-5-8-18(17(20)11-15)25-12-19(23)21-10-9-14-3-6-16(24-2)7-4-14/h3-8,11H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 361.44 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 31482762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).