2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

C26H25ClN2OS — CID 4319508

IUPAC2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2cn(Cc3ccccc3Cl)c3ccccc23)c(C)c1
InChIInChI=1S/C26H25ClN2OS/c1-17-12-18(2)26(19(3)13-17)28-25(30)16-31-24-15-29(23-11-7-5-9-21(23)24)14-20-8-4-6-10-22(20)27/h4-13,15H,14,16H2,1-3H3,(H,28,30)
InChIKeyXMAJVHILJKHMMG-UHFFFAOYSA-N
MW449.02 g/mol
LogP7.00
Rot. Bonds6

About 2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 4319508) has the molecular formula C26H25ClN2OS and a molecular weight of 449.02 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID4319508
Molecular FormulaC26H25ClN2OS
Molecular Weight449.02 g/mol
Exact Mass448.14
IUPAC Name2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2cn(Cc3ccccc3Cl)c3ccccc23)c(C)c1
InChIInChI=1S/C26H25ClN2OS/c1-17-12-18(2)26(19(3)13-17)28-25(30)16-31-24-15-29(23-11-7-5-9-21(23)24)14-20-8-4-6-10-22(20)27/h4-13,15H,14,16H2,1-3H3,(H,28,30)
InChIKeyXMAJVHILJKHMMG-UHFFFAOYSA-N
XLogP7.00
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.02
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 4185632
N-(2,4-dimethylphenyl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 3624347
2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4294472
N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 5065229
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4126627
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4609215
2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylbenzoic acid
CID 4907237
N-[2-[3-[(2-chlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,5-dimethylbenzamide
CID 4581516
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4181292
N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143817
2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437
2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 4094177

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (CID 4319508) is 2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CSc2cn(Cc3ccccc3Cl)c3ccccc23)c(C)c1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is XMAJVHILJKHMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2OS/c1-17-12-18(2)26(19(3)13-17)28-25(30)16-31-24-15-29(23-11-7-5-9-21(23)24)14-20-8-4-6-10-22(20)27/h4-13,15H,14,16H2,1-3H3,(H,28,30).
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 449.02 g/mol, XLogP of 7.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 4319508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).