2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide

C22H24N2OS — CID 2488351

IUPAC2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCc1cc(SCC(=O)N[C@H](C)CCc2ccccc2)nc2ccccc12
InChIInChI=1S/C22H24N2OS/c1-16-14-22(24-20-11-7-6-10-19(16)20)26-15-21(25)23-17(2)12-13-18-8-4-3-5-9-18/h3-11,14,17H,12-13,15H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeyVXQPNEUSVCBWTD-QGZVFWFLSA-N
MW364.51 g/mol
LogP4.77
Rot. Bonds7

About 2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 2488351) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID2488351
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCc1cc(SCC(=O)N[C@H](C)CCc2ccccc2)nc2ccccc12
InChIInChI=1S/C22H24N2OS/c1-16-14-22(24-20-11-7-6-10-19(16)20)26-15-21(25)23-17(2)12-13-18-8-4-3-5-9-18/h3-11,14,17H,12-13,15H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeyVXQPNEUSVCBWTD-QGZVFWFLSA-N
XLogP4.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 4683672
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7145553
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2624250
4-[[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]methyl]benzoic acid
CID 4791146
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 41082611
2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 46383664
N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide
CID 25412067
sodium 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 23698351
N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 2488351) is 2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide is Cc1cc(SCC(=O)N[C@H](C)CCc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is VXQPNEUSVCBWTD-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-16-14-22(24-20-11-7-6-10-19(16)20)26-15-21(25)23-17(2)12-13-18-8-4-3-5-9-18/h3-11,14,17H,12-13,15H2,1-2H3,(H,23,25)/t17-/m1/s1.
What are the key properties of 2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 364.51 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 2488351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).