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

C30H26N2OS — CID 4079247

IUPAC2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
SMILESO=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26N2OS/c33-30(27(22-12-4-1-5-13-22)23-14-6-2-7-15-23)31-20-21-34-29-25-18-10-11-19-26(25)32-28(29)24-16-8-3-9-17-24/h1-19,27,32H,20-21H2,(H,31,33)
InChIKeyFJPSLKJEBBWWHR-UHFFFAOYSA-N
MW462.62 g/mol
LogP6.88
Rot. Bonds8

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

2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide (PubChem CID 4079247) has the molecular formula C30H26N2OS and a molecular weight of 462.62 g/mol. Its IUPAC name is 2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
PubChem CID4079247
Molecular FormulaC30H26N2OS
Molecular Weight462.62 g/mol
Exact Mass462.18
IUPAC Name2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
SMILESO=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26N2OS/c33-30(27(22-12-4-1-5-13-22)23-14-6-2-7-15-23)31-20-21-34-29-25-18-10-11-19-26(25)32-28(29)24-16-8-3-9-17-24/h1-19,27,32H,20-21H2,(H,31,33)
InChIKeyFJPSLKJEBBWWHR-UHFFFAOYSA-N
XLogP6.88
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.62
LogP ≤ 56.88
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

N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156506
2-methoxy-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 2156517
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
N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-phenoxypropanamide
CID 5093280
2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 3336028
2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide
CID 5183642
5-chloro-2-methoxy-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 4090408
N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
CID 4103692
3-fluoro-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 4282547
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]-3-methylbenzamide
CID 3348721

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide (CID 4079247) is 2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide is O=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
The InChIKey is FJPSLKJEBBWWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2OS/c33-30(27(22-12-4-1-5-13-22)23-14-6-2-7-15-23)31-20-21-34-29-25-18-10-11-19-26(25)32-28(29)24-16-8-3-9-17-24/h1-19,27,32H,20-21H2,(H,31,33).
What are the key properties of 2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide has a molecular weight of 462.62 g/mol, XLogP of 6.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide is sourced from PubChem (CID 4079247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).