2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C24H17Cl2F3N2OS — CID 3325900

IUPAC2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C24H17Cl2F3N2OS/c25-17-8-5-15(6-9-17)12-31-13-22(18-3-1-2-4-21(18)31)33-14-23(32)30-20-11-16(24(27,28)29)7-10-19(20)26/h1-11,13H,12,14H2,(H,30,32)
InChIKeyJYBVEGJDZBUING-UHFFFAOYSA-N
MW509.38 g/mol
LogP7.75
Rot. Bonds6

About 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 3325900) has the molecular formula C24H17Cl2F3N2OS and a molecular weight of 509.38 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID3325900
Molecular FormulaC24H17Cl2F3N2OS
Molecular Weight509.38 g/mol
Exact Mass508.04
IUPAC Name2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C24H17Cl2F3N2OS/c25-17-8-5-15(6-9-17)12-31-13-22(18-3-1-2-4-21(18)31)33-14-23(32)30-20-11-16(24(27,28)29)7-10-19(20)26/h1-11,13H,12,14H2,(H,30,32)
InChIKeyJYBVEGJDZBUING-UHFFFAOYSA-N
XLogP7.75
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.38
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4192226
N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 5065229
2-[(4-chlorophenyl)methylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1286761
2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402973
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 43936682
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide
CID 4581043
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4126627
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 18205272
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-[[3-(trifluoromethyl)phenyl]methylamino]acetic acid
CID 19796590
N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 108998258
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 3325900) is 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is O=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JYBVEGJDZBUING-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F3N2OS/c25-17-8-5-15(6-9-17)12-31-13-22(18-3-1-2-4-21(18)31)33-14-23(32)30-20-11-16(24(27,28)29)7-10-19(20)26/h1-11,13H,12,14H2,(H,30,32).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 509.38 g/mol, XLogP of 7.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3325900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).