2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide

C25H24N2OS — CID 4294472

IUPAC2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)c1
InChIInChI=1S/C25H24N2OS/c1-18-12-19(2)14-21(13-18)26-25(28)17-29-24-16-27(15-20-8-4-3-5-9-20)23-11-7-6-10-22(23)24/h3-14,16H,15,17H2,1-2H3,(H,26,28)
InChIKeyJPXNZBYUEQAAGO-UHFFFAOYSA-N
MW400.55 g/mol
LogP6.04
Rot. Bonds6

About 2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide

2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide (PubChem CID 4294472) has the molecular formula C25H24N2OS and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
PubChem CID4294472
Molecular FormulaC25H24N2OS
Molecular Weight400.55 g/mol
Exact Mass400.16
IUPAC Name2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)c1
InChIInChI=1S/C25H24N2OS/c1-18-12-19(2)14-21(13-18)26-25(28)17-29-24-16-27(15-20-8-4-3-5-9-20)23-11-7-6-10-22(23)24/h3-14,16H,15,17H2,1-2H3,(H,26,28)
InChIKeyJPXNZBYUEQAAGO-UHFFFAOYSA-N
XLogP6.04
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4126627
2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175
N-[2-[3-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4161093
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
N-(1,3-benzodioxol-5-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4549920
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide
CID 4581043
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4608403
2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 4319508
2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 4185632

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide (CID 4294472) is 2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)c1.
What is the InChIKey of 2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is JPXNZBYUEQAAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2OS/c1-18-12-19(2)14-21(13-18)26-25(28)17-29-24-16-27(15-20-8-4-3-5-9-20)23-11-7-6-10-22(23)24/h3-14,16H,15,17H2,1-2H3,(H,26,28).
What are the key properties of 2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 400.55 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 4294472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).