2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide

C23H26N2O2S — CID 7175103

IUPAC2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1
InChIInChI=1S/C23H26N2O2S/c1-4-8-16(2)24-22(26)15-28-23-14-20(17-9-6-5-7-10-17)19-12-11-18(27-3)13-21(19)25-23/h5-7,9-14,16H,4,8,15H2,1-3H3,(H,24,26)/t16-/m0/s1
InChIKeySBJGQNIUPCXFMB-INIZCTEOSA-N
MW394.54 g/mol
LogP5.31
Rot. Bonds8

About 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide

2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide (PubChem CID 7175103) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
PubChem CID7175103
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1
InChIInChI=1S/C23H26N2O2S/c1-4-8-16(2)24-22(26)15-28-23-14-20(17-9-6-5-7-10-17)19-12-11-18(27-3)13-21(19)25-23/h5-7,9-14,16H,4,8,15H2,1-3H3,(H,24,26)/t16-/m0/s1
InChIKeySBJGQNIUPCXFMB-INIZCTEOSA-N
XLogP5.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
CID 4876405
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 7175108
2-ethanimidoyl-4-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-3-oxobutanenitrile
CID 7246005
(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide
CID 42488590
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17402158
(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 2548817
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 24677995
N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide
CID 2546662
1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 40679039
2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 18079390
2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 18079407
(Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(7-methoxy-4-phenylquinolin-2-yl)sulfanylbut-2-enenitrile
CID 135599332

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide?
The IUPAC name of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide (CID 7175103) is 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide?
The canonical SMILES for 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide is CCC[C@H](C)NC(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1.
What is the InChIKey of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide?
The InChIKey is SBJGQNIUPCXFMB-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-4-8-16(2)24-22(26)15-28-23-14-20(17-9-6-5-7-10-17)19-12-11-18(27-3)13-21(19)25-23/h5-7,9-14,16H,4,8,15H2,1-3H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide?
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide has a molecular weight of 394.54 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide is sourced from PubChem (CID 7175103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).