(2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide

C25H22N2OS — CID 40798749

IUPAC(2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide
SMILESO=C(NCCc1cccc2cccnc12)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C25H22N2OS/c28-25(27-18-16-20-12-7-11-19-13-8-17-26-23(19)20)24(21-9-3-1-4-10-21)29-22-14-5-2-6-15-22/h1-15,17,24H,16,18H2,(H,27,28)/t24-/m0/s1
InChIKeyYRWWGMWYSUASQL-DEOSSOPVSA-N
MW398.53 g/mol
LogP5.43
Rot. Bonds7

About (2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide

(2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide (PubChem CID 40798749) has the molecular formula C25H22N2OS and a molecular weight of 398.53 g/mol. Its IUPAC name is (2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide
PubChem CID40798749
Molecular FormulaC25H22N2OS
Molecular Weight398.53 g/mol
Exact Mass398.15
IUPAC Name(2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide
SMILESO=C(NCCc1cccc2cccnc12)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C25H22N2OS/c28-25(27-18-16-20-12-7-11-19-13-8-17-26-23(19)20)24(21-9-3-1-4-10-21)29-22-14-5-2-6-15-22/h1-15,17,24H,16,18H2,(H,27,28)/t24-/m0/s1
InChIKeyYRWWGMWYSUASQL-DEOSSOPVSA-N
XLogP5.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427876
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16547374
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134027552
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 4043890
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
2-naphthalen-2-yl-N-(2-quinolin-8-ylethyl)acetamide
CID 51112165
3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide
CID 81426799

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide?
The IUPAC name of (2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide (CID 40798749) is (2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide?
The canonical SMILES for (2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide is O=C(NCCc1cccc2cccnc12)[C@@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide?
The InChIKey is YRWWGMWYSUASQL-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H22N2OS/c28-25(27-18-16-20-12-7-11-19-13-8-17-26-23(19)20)24(21-9-3-1-4-10-21)29-22-14-5-2-6-15-22/h1-15,17,24H,16,18H2,(H,27,28)/t24-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide?
(2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide has a molecular weight of 398.53 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide is sourced from PubChem (CID 40798749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).