2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide

C15H15N3OS — CID 1433839

IUPAC2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nc2ccccc2cc1C#N
InChIInChI=1S/C15H15N3OS/c1-10(2)17-14(19)9-20-15-12(8-16)7-11-5-3-4-6-13(11)18-15/h3-7,10H,9H2,1-2H3,(H,17,19)
InChIKeyIQCPYAIPCWOSOM-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.72
Rot. Bonds4

About 2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide

2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide (PubChem CID 1433839) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide
PubChem CID1433839
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nc2ccccc2cc1C#N
InChIInChI=1S/C15H15N3OS/c1-10(2)17-14(19)9-20-15-12(8-16)7-11-5-3-4-6-13(11)18-15/h3-7,10H,9H2,1-2H3,(H,17,19)
InChIKeyIQCPYAIPCWOSOM-UHFFFAOYSA-N
XLogP2.72
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide
CID 175299587
N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 3207501
N-[(2R)-butan-2-yl]-2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylacetamide
CID 7383493
N-(2-chlorophenyl)-2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylacetamide
CID 43812152
2-(3-cyanoquinolin-2-yl)sulfanyl-3-methylbutanoic acid
CID 105355342
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1151269
methyl 2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylacetate
CID 3207602
2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 43812159
2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43812155
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 92870156
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 46265783
N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide
CID 1076923

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide (CID 1433839) is 2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nc2ccccc2cc1C#N.
What is the InChIKey of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide?
The InChIKey is IQCPYAIPCWOSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10(2)17-14(19)9-20-15-12(8-16)7-11-5-3-4-6-13(11)18-15/h3-7,10H,9H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide?
2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide has a molecular weight of 285.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 1433839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).