2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide

C25H24N2OS — CID 3621175

IUPAC2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C25H24N2OS/c1-2-19-12-14-21(15-13-19)26-25(28)18-29-24-17-27(16-20-8-4-3-5-9-20)23-11-7-6-10-22(23)24/h3-15,17H,2,16,18H2,1H3,(H,26,28)
InChIKeyNAAAOZFUTKBGAP-UHFFFAOYSA-N
MW400.55 g/mol
LogP5.98
Rot. Bonds7

About 2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide

2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide (PubChem CID 3621175) 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-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
PubChem CID3621175
Molecular FormulaC25H24N2OS
Molecular Weight400.55 g/mol
Exact Mass400.16
IUPAC Name2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C25H24N2OS/c1-2-19-12-14-21(15-13-19)26-25(28)18-29-24-17-27(16-20-8-4-3-5-9-20)23-11-7-6-10-22(23)24/h3-15,17H,2,16,18H2,1H3,(H,26,28)
InChIKeyNAAAOZFUTKBGAP-UHFFFAOYSA-N
XLogP5.98
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437
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-(3,5-dimethylphenyl)acetamide
CID 4126627
N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4608403
N-(1,3-benzodioxol-5-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4549920
ethyl 4-[[2-(1-ethylindol-3-yl)sulfanylacetyl]amino]benzoate
CID 3420060
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide
CID 4581043
N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide
CID 5163816
N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 5065229
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902343

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide (CID 3621175) is 2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide?
The InChIKey is NAAAOZFUTKBGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2OS/c1-2-19-12-14-21(15-13-19)26-25(28)18-29-24-17-27(16-20-8-4-3-5-9-20)23-11-7-6-10-22(23)24/h3-15,17H,2,16,18H2,1H3,(H,26,28).
What are the key properties of 2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide?
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide has a molecular weight of 400.55 g/mol, XLogP of 5.98, 7 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-(4-ethylphenyl)acetamide is sourced from PubChem (CID 3621175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).