2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide

C23H20N2OS — CID 3439437

IUPAC2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
SMILESO=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1ccccc1
InChIInChI=1S/C23H20N2OS/c26-23(24-19-11-5-2-6-12-19)17-27-22-16-25(15-18-9-3-1-4-10-18)21-14-8-7-13-20(21)22/h1-14,16H,15,17H2,(H,24,26)
InChIKeyHLHAJMDRERYRAE-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.42
Rot. Bonds6

About 2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide

2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide (PubChem CID 3439437) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
PubChem CID3439437
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
SMILESO=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1ccccc1
InChIInChI=1S/C23H20N2OS/c26-23(24-19-11-5-2-6-12-19)17-27-22-16-25(15-18-9-3-1-4-10-18)21-14-8-7-13-20(21)22/h1-14,16H,15,17H2,(H,24,26)
InChIKeyHLHAJMDRERYRAE-UHFFFAOYSA-N
XLogP5.42
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175
N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4192226
2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4294472
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
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-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4608403
2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide
CID 6624315
N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 5065229
N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide
CID 5163816
N-(1,3-benzodioxol-5-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4549920
N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide
CID 46418266

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide (CID 3439437) is 2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide is O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1ccccc1.
What is the InChIKey of 2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide?
The InChIKey is HLHAJMDRERYRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c26-23(24-19-11-5-2-6-12-19)17-27-22-16-25(15-18-9-3-1-4-10-18)21-14-8-7-13-20(21)22/h1-14,16H,15,17H2,(H,24,26).
What are the key properties of 2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide?
2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide has a molecular weight of 372.49 g/mol, XLogP of 5.42, 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-phenylacetamide is sourced from PubChem (CID 3439437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).