2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide

C26H26N2O2S — CID 3336028

IUPAC2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCSc2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C26H26N2O2S/c1-2-30-21-14-12-19(13-15-21)18-24(29)27-16-17-31-26-22-10-6-7-11-23(22)28-25(26)20-8-4-3-5-9-20/h3-15,28H,2,16-18H2,1H3,(H,27,29)
InChIKeyVNEYXNJFERBORP-UHFFFAOYSA-N
MW430.57 g/mol
LogP5.68
Rot. Bonds9

About 2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide

2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide (PubChem CID 3336028) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
PubChem CID3336028
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC Name2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCSc2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C26H26N2O2S/c1-2-30-21-14-12-19(13-15-21)18-24(29)27-16-17-31-26-22-10-6-7-11-23(22)28-25(26)20-8-4-3-5-9-20/h3-15,28H,2,16-18H2,1H3,(H,27,29)
InChIKeyVNEYXNJFERBORP-UHFFFAOYSA-N
XLogP5.68
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-ethoxybenzamide
CID 4277956
2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide
CID 5183642
2-methoxy-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 2156517
2-(3,4-dimethoxyphenyl)-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide
CID 2156544
N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156506
N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide
CID 2156420
2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 4079247
4-phenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156509
4-butoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 4054289
2-iodo-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 4139803
2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide
CID 3468049
N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-phenoxypropanamide
CID 5093280

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide (CID 3336028) is 2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide is CCOc1ccc(CC(=O)NCCSc2c(-c3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
The InChIKey is VNEYXNJFERBORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-2-30-21-14-12-19(13-15-21)18-24(29)27-16-17-31-26-22-10-6-7-11-23(22)28-25(26)20-8-4-3-5-9-20/h3-15,28H,2,16-18H2,1H3,(H,27,29).
What are the key properties of 2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide has a molecular weight of 430.57 g/mol, XLogP of 5.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide is sourced from PubChem (CID 3336028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).