N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide

C23H20N2OS — CID 2156506

IUPACN-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
SMILESO=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C23H20N2OS/c26-23(18-11-5-2-6-12-18)24-15-16-27-22-19-13-7-8-14-20(19)25-21(22)17-9-3-1-4-10-17/h1-14,25H,15-16H2,(H,24,26)
InChIKeyJSQVXQBOKCDEEN-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.36
Rot. Bonds6

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

N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide (PubChem CID 2156506) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
PubChem CID2156506
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC NameN-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
SMILESO=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C23H20N2OS/c26-23(18-11-5-2-6-12-18)24-15-16-27-22-19-13-7-8-14-20(19)25-21(22)17-9-3-1-4-10-17/h1-14,25H,15-16H2,(H,24,26)
InChIKeyJSQVXQBOKCDEEN-UHFFFAOYSA-N
XLogP5.36
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.36
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

4-phenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156509
2-iodo-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 4139803
3-bromo-N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 4140285
2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 4079247
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]-4-nitrobenzamide
CID 5048644
3-methoxy-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 3249034
N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-methylbenzamide
CID 4107374
N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-methylbenzamide
CID 3348721
2-methoxy-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 2156517
4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156516
N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-ethoxybenzamide
CID 4277956

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide?
The IUPAC name of N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide (CID 2156506) is N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide.
What is the SMILES notation for N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide?
The canonical SMILES for N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide is O=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide?
The InChIKey is JSQVXQBOKCDEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c26-23(18-11-5-2-6-12-18)24-15-16-27-22-19-13-7-8-14-20(19)25-21(22)17-9-3-1-4-10-17/h1-14,25H,15-16H2,(H,24,26).
What are the key properties of N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide?
N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide is sourced from PubChem (CID 2156506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).