2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide

C17H15ClF3NO2S — CID 16514508

IUPAC2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)Sc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H15ClF3NO2S/c1-10(16(23)22-14-5-3-4-6-15(14)24-2)25-11-7-8-13(18)12(9-11)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyCIZLGHXNSQXZIN-UHFFFAOYSA-N
MW389.83 g/mol
LogP5.49
Rot. Bonds5

About 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide

2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide (PubChem CID 16514508) has the molecular formula C17H15ClF3NO2S and a molecular weight of 389.83 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide
PubChem CID16514508
Molecular FormulaC17H15ClF3NO2S
Molecular Weight389.83 g/mol
Exact Mass389.05
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)Sc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H15ClF3NO2S/c1-10(16(23)22-14-5-3-4-6-15(14)24-2)25-11-7-8-13(18)12(9-11)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyCIZLGHXNSQXZIN-UHFFFAOYSA-N
XLogP5.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.83
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide (CID 16514508) is 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)Sc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide?
The InChIKey is CIZLGHXNSQXZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2S/c1-10(16(23)22-14-5-3-4-6-15(14)24-2)25-11-7-8-13(18)12(9-11)17(19,20)21/h3-10H,1-2H3,(H,22,23).
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide?
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide has a molecular weight of 389.83 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 16514508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).