N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide

C17H19N3OS — CID 3207501

IUPACN-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
SMILESCCC(C)NC(=O)CSc1nc2ccc(C)cc2cc1C#N
InChIInChI=1S/C17H19N3OS/c1-4-12(3)19-16(21)10-22-17-14(9-18)8-13-7-11(2)5-6-15(13)20-17/h5-8,12H,4,10H2,1-3H3,(H,19,21)
InChIKeyZKNIKVFUFDGRCU-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.42
Rot. Bonds5

About N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide

N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 3207501) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
PubChem CID3207501
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
SMILESCCC(C)NC(=O)CSc1nc2ccc(C)cc2cc1C#N
InChIInChI=1S/C17H19N3OS/c1-4-12(3)19-16(21)10-22-17-14(9-18)8-13-7-11(2)5-6-15(13)20-17/h5-8,12H,4,10H2,1-3H3,(H,19,21)
InChIKeyZKNIKVFUFDGRCU-UHFFFAOYSA-N
XLogP3.42
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylacetamide
CID 7383493
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 3207500
6-methyl-2-(2-oxopropylsulfanyl)quinoline-3-carbonitrile
CID 865643
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 865636
N-(3-chloro-4-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 1373542
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide
CID 865629
2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 1433839
N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 1207078
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 3207512
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methylquinoline-3-carbonitrile
CID 865645
6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 865633
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 1105343

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide (CID 3207501) is N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide is CCC(C)NC(=O)CSc1nc2ccc(C)cc2cc1C#N.
What is the InChIKey of N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is ZKNIKVFUFDGRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-4-12(3)19-16(21)10-22-17-14(9-18)8-13-7-11(2)5-6-15(13)20-17/h5-8,12H,4,10H2,1-3H3,(H,19,21).
What are the key properties of N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide?
N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 313.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3207501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).