N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide

C19H23N3O2S — CID 5126350

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc2c(C)cc(SCC(=O)NC(C)(C#N)C(C)C)nc2c1
InChIInChI=1S/C19H23N3O2S/c1-12(2)19(4,11-20)22-17(23)10-25-18-8-13(3)15-7-6-14(24-5)9-16(15)21-18/h6-9,12H,10H2,1-5H3,(H,22,23)
InChIKeyDIMIETLBCOOBFH-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.70
Rot. Bonds6

About N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide

N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 5126350) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID5126350
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc2c(C)cc(SCC(=O)NC(C)(C#N)C(C)C)nc2c1
InChIInChI=1S/C19H23N3O2S/c1-12(2)19(4,11-20)22-17(23)10-25-18-8-13(3)15-7-6-14(24-5)9-16(15)21-18/h6-9,12H,10H2,1-5H3,(H,22,23)
InChIKeyDIMIETLBCOOBFH-UHFFFAOYSA-N
XLogP3.70
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2523123
N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide
CID 2546662
N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3468406
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2086613
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2536154
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 4597948
3-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 3637014
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2124643
2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7146296
2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7146297
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 41084416
N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4828438

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide (CID 5126350) is N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide is COc1ccc2c(C)cc(SCC(=O)NC(C)(C#N)C(C)C)nc2c1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is DIMIETLBCOOBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12(2)19(4,11-20)22-17(23)10-25-18-8-13(3)15-7-6-14(24-5)9-16(15)21-18/h6-9,12H,10H2,1-5H3,(H,22,23).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 357.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 5126350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).