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

C25H23FN2OS — CID 5183642

IUPAC2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide
SMILESCc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C25H23FN2OS/c1-17-6-10-19(11-7-17)24-25(21-4-2-3-5-22(21)28-24)30-15-14-27-23(29)16-18-8-12-20(26)13-9-18/h2-13,28H,14-16H2,1H3,(H,27,29)
InChIKeySTJZBKQGEJXNTN-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.73
Rot. Bonds7

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

2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide (PubChem CID 5183642) has the molecular formula C25H23FN2OS and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide
PubChem CID5183642
Molecular FormulaC25H23FN2OS
Molecular Weight418.54 g/mol
Exact Mass418.15
IUPAC Name2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide
SMILESCc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C25H23FN2OS/c1-17-6-10-19(11-7-17)24-25(21-4-2-3-5-22(21)28-24)30-15-14-27-23(29)16-18-8-12-20(26)13-9-18/h2-13,28H,14-16H2,1H3,(H,27,29)
InChIKeySTJZBKQGEJXNTN-UHFFFAOYSA-N
XLogP5.73
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 4282547
N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
CID 4103692
2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 3336028
2-chloro-6-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 5183643
2-(3,4-dimethoxyphenyl)-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide
CID 2156544
N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-nitrobenzamide
CID 5048644
2-methoxy-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 2156517
3-methoxy-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 3249034
4-phenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156509
4-methyl-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-nitrobenzamide
CID 4168782
N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156506
2-ethoxy-N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]naphthalene-1-carboxamide
CID 3468049

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide (CID 5183642) is 2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide is Cc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide?
The InChIKey is STJZBKQGEJXNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2OS/c1-17-6-10-19(11-7-17)24-25(21-4-2-3-5-22(21)28-24)30-15-14-27-23(29)16-18-8-12-20(26)13-9-18/h2-13,28H,14-16H2,1H3,(H,27,29).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide has a molecular weight of 418.54 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide is sourced from PubChem (CID 5183642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).