(2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide

C22H24N2OS — CID 7363763

IUPAC(2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)N(C)Cc2ccccc2)nc2c(C)cccc12
InChIInChI=1S/C22H24N2OS/c1-15-9-8-12-19-16(2)13-20(23-21(15)19)26-17(3)22(25)24(4)14-18-10-6-5-7-11-18/h5-13,17H,14H2,1-4H3/t17-/m1/s1
InChIKeyMEUPYKGCSCKWTP-QGZVFWFLSA-N
MW364.51 g/mol
LogP4.99
Rot. Bonds5

About (2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide

(2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide (PubChem CID 7363763) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide
PubChem CID7363763
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name(2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)N(C)Cc2ccccc2)nc2c(C)cccc12
InChIInChI=1S/C22H24N2OS/c1-15-9-8-12-19-16(2)13-20(23-21(15)19)26-17(3)22(25)24(4)14-18-10-6-5-7-11-18/h5-13,17H,14H2,1-4H3/t17-/m1/s1
InChIKeyMEUPYKGCSCKWTP-QGZVFWFLSA-N
XLogP4.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide
CID 7363762
2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 4821234
N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 7363744
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 9456586
2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 17432104
(2S)-N-benzyl-N-methyl-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 40579205
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7743634
(2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 39074879
(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363693
(2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7743628
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7363859
2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide?
The IUPAC name of (2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide (CID 7363763) is (2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide?
The canonical SMILES for (2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide is Cc1cc(S[C@H](C)C(=O)N(C)Cc2ccccc2)nc2c(C)cccc12.
What is the InChIKey of (2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide?
The InChIKey is MEUPYKGCSCKWTP-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-15-9-8-12-19-16(2)13-20(23-21(15)19)26-17(3)22(25)24(4)14-18-10-6-5-7-11-18/h5-13,17H,14H2,1-4H3/t17-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide?
(2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide has a molecular weight of 364.51 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 7363763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).