(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide

C24H20N2O2S — CID 42488590

IUPAC(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide
SMILESCOc1ccc2c(-c3ccccc3)cc(S[C@@H](C(N)=O)c3ccccc3)nc2c1
InChIInChI=1S/C24H20N2O2S/c1-28-18-12-13-19-20(16-8-4-2-5-9-16)15-22(26-21(19)14-18)29-23(24(25)27)17-10-6-3-7-11-17/h2-15,23H,1H3,(H2,25,27)/t23-/m1/s1
InChIKeyIWEGOXIBDZPBTE-HSZRJFAPSA-N
MW400.50 g/mol
LogP5.23
Rot. Bonds6

About (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide

(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide (PubChem CID 42488590) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide
PubChem CID42488590
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide
SMILESCOc1ccc2c(-c3ccccc3)cc(S[C@@H](C(N)=O)c3ccccc3)nc2c1
InChIInChI=1S/C24H20N2O2S/c1-28-18-12-13-19-20(16-8-4-2-5-9-16)15-22(26-21(19)14-18)29-23(24(25)27)17-10-6-3-7-11-17/h2-15,23H,1H3,(H2,25,27)/t23-/m1/s1
InChIKeyIWEGOXIBDZPBTE-HSZRJFAPSA-N
XLogP5.23
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 2548817
1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 40679039
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 7175108
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 7175103
5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole
CID 42941816
2-ethanimidoyl-4-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-3-oxobutanenitrile
CID 7246005
(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 25349930
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17402158
N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
CID 4679253
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 24677995
6-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 42577119
N-(1,1-dioxothiolan-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
CID 4876405

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide (CID 42488590) is (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide is COc1ccc2c(-c3ccccc3)cc(S[C@@H](C(N)=O)c3ccccc3)nc2c1.
What is the InChIKey of (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide?
The InChIKey is IWEGOXIBDZPBTE-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-28-18-12-13-19-20(16-8-4-2-5-9-16)15-22(26-21(19)14-18)29-23(24(25)27)17-10-6-3-7-11-17/h2-15,23H,1H3,(H2,25,27)/t23-/m1/s1.
What are the key properties of (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide?
(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide has a molecular weight of 400.50 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 42488590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).