[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate

C18H15ClF2O4S — CID 2389364

IUPAC[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
SMILESO=C(CCSc1ccc(Cl)cc1)OCC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H15ClF2O4S/c19-13-3-7-15(8-4-13)26-10-9-17(23)24-11-16(22)12-1-5-14(6-2-12)25-18(20)21/h1-8,18H,9-11H2
InChIKeyRWJJJFANWOFDPG-UHFFFAOYSA-N
MW400.83 g/mol
LogP4.85
Rot. Bonds9

About [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate

[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate (PubChem CID 2389364) has the molecular formula C18H15ClF2O4S and a molecular weight of 400.83 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
PubChem CID2389364
Molecular FormulaC18H15ClF2O4S
Molecular Weight400.83 g/mol
Exact Mass400.03
IUPAC Name[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
SMILESO=C(CCSc1ccc(Cl)cc1)OCC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H15ClF2O4S/c19-13-3-7-15(8-4-13)26-10-9-17(23)24-11-16(22)12-1-5-14(6-2-12)25-18(20)21/h1-8,18H,9-11H2
InChIKeyRWJJJFANWOFDPG-UHFFFAOYSA-N
XLogP4.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.83
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7841014
bis[2-(4-chlorophenyl)-2-oxoethyl] dodecanedioate
CID 3270757
[2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2435528
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate
CID 2356812
[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate
CID 2287702
butyl 3-(4-chlorophenyl)sulfanylpropanoate
CID 16750592
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2448864
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 3552776
5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
CID 26961842
4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
CID 7931593
1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone
CID 55463619
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 9139663

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate?
The IUPAC name of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate (CID 2389364) is [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate.
What is the SMILES notation for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate?
The canonical SMILES for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate is O=C(CCSc1ccc(Cl)cc1)OCC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate?
The InChIKey is RWJJJFANWOFDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2O4S/c19-13-3-7-15(8-4-13)26-10-9-17(23)24-11-16(22)12-1-5-14(6-2-12)25-18(20)21/h1-8,18H,9-11H2.
What are the key properties of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate?
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate has a molecular weight of 400.83 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate is sourced from PubChem (CID 2389364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).