2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C19H18ClF3N2O2S — CID 979302

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C19H18ClF3N2O2S/c20-14-2-4-15(5-3-14)28-12-18(26)24-16-11-13(19(21,22)23)1-6-17(16)25-7-9-27-10-8-25/h1-6,11H,7-10,12H2,(H,24,26)
InChIKeyKLEMPWFZNULUSH-UHFFFAOYSA-N
MW430.88 g/mol
LogP4.93
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 979302) has the molecular formula C19H18ClF3N2O2S and a molecular weight of 430.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID979302
Molecular FormulaC19H18ClF3N2O2S
Molecular Weight430.88 g/mol
Exact Mass430.07
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C19H18ClF3N2O2S/c20-14-2-4-15(5-3-14)28-12-18(26)24-16-11-13(19(21,22)23)1-6-17(16)25-7-9-27-10-8-25/h1-6,11H,7-10,12H2,(H,24,26)
InChIKeyKLEMPWFZNULUSH-UHFFFAOYSA-N
XLogP4.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.88
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 979302) is 2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(CSc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KLEMPWFZNULUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2S/c20-14-2-4-15(5-3-14)28-12-18(26)24-16-11-13(19(21,22)23)1-6-17(16)25-7-9-27-10-8-25/h1-6,11H,7-10,12H2,(H,24,26).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 430.88 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 979302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).