N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide

C23H18Cl2N2OS — CID 4192226

IUPACN-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESO=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl2N2OS/c24-17-7-5-16(6-8-17)13-27-14-22(20-3-1-2-4-21(20)27)29-15-23(28)26-19-11-9-18(25)10-12-19/h1-12,14H,13,15H2,(H,26,28)
InChIKeyCYQXYHYUMIDWAW-UHFFFAOYSA-N
MW441.38 g/mol
LogP6.73
Rot. Bonds6

About N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide

N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide (PubChem CID 4192226) has the molecular formula C23H18Cl2N2OS and a molecular weight of 441.38 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide
PubChem CID4192226
Molecular FormulaC23H18Cl2N2OS
Molecular Weight441.38 g/mol
Exact Mass440.05
IUPAC NameN-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide
SMILESO=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl2N2OS/c24-17-7-5-16(6-8-17)13-27-14-22(20-3-1-2-4-21(20)27)29-15-23(28)26-19-11-9-18(25)10-12-19/h1-12,14H,13,15H2,(H,26,28)
InChIKeyCYQXYHYUMIDWAW-UHFFFAOYSA-N
XLogP6.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.38
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide
CID 4581043
2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4294472
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4126627
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 3325900
N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4608403
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
N-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide
CID 20902688
N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide
CID 40940084
N-(1,3-benzodioxol-5-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4549920
N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 5065229

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide (CID 4192226) is N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide is O=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide?
The InChIKey is CYQXYHYUMIDWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2OS/c24-17-7-5-16(6-8-17)13-27-14-22(20-3-1-2-4-21(20)27)29-15-23(28)26-19-11-9-18(25)10-12-19/h1-12,14H,13,15H2,(H,26,28).
What are the key properties of N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide has a molecular weight of 441.38 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 4192226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).