(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide

C21H21N3O3S — CID 2548817

IUPAC(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1cc(-c2ccccc2)c2ccc(OC)cc2n1
InChIInChI=1S/C21H21N3O3S/c1-13(20(25)24-21(26)22-2)28-19-12-17(14-7-5-4-6-8-14)16-10-9-15(27-3)11-18(16)23-19/h4-13H,1-3H3,(H2,22,24,25,26)/t13-/m1/s1
InChIKeyBGAKIWLQPKCCMI-CYBMUJFWSA-N
MW395.48 g/mol
LogP3.85
Rot. Bonds5

About (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide

(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide (PubChem CID 2548817) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
PubChem CID2548817
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1cc(-c2ccccc2)c2ccc(OC)cc2n1
InChIInChI=1S/C21H21N3O3S/c1-13(20(25)24-21(26)22-2)28-19-12-17(14-7-5-4-6-8-14)16-10-9-15(27-3)11-18(16)23-19/h4-13H,1-3H3,(H2,22,24,25,26)/t13-/m1/s1
InChIKeyBGAKIWLQPKCCMI-CYBMUJFWSA-N
XLogP3.85
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
CID 4679253
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CID 25349930
(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide
CID 42488590
1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 40679039
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
(2S)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 7253261
2-ethanimidoyl-4-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-3-oxobutanenitrile
CID 7246005
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17402158
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 7175108
N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide
CID 3926182
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7743634

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide (CID 2548817) is (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)Sc1cc(-c2ccccc2)c2ccc(OC)cc2n1.
What is the InChIKey of (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The InChIKey is BGAKIWLQPKCCMI-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-13(20(25)24-21(26)22-2)28-19-12-17(14-7-5-4-6-8-14)16-10-9-15(27-3)11-18(16)23-19/h4-13H,1-3H3,(H2,22,24,25,26)/t13-/m1/s1.
What are the key properties of (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide has a molecular weight of 395.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 2548817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).