2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide

C22H21N3OS — CID 3207699

IUPAC2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1ccc2cc(C#N)c(SCC(=O)NCCc3ccccc3)nc2c1C
InChIInChI=1S/C22H21N3OS/c1-15-8-9-18-12-19(13-23)22(25-21(18)16(15)2)27-14-20(26)24-11-10-17-6-4-3-5-7-17/h3-9,12H,10-11,14H2,1-2H3,(H,24,26)
InChIKeySIYNYOQTETUTOI-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.17
Rot. Bonds6

About 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide

2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 3207699) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID3207699
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1ccc2cc(C#N)c(SCC(=O)NCCc3ccccc3)nc2c1C
InChIInChI=1S/C22H21N3OS/c1-15-8-9-18-12-19(13-23)22(25-21(18)16(15)2)27-14-20(26)24-11-10-17-6-4-3-5-7-17/h3-9,12H,10-11,14H2,1-2H3,(H,24,26)
InChIKeySIYNYOQTETUTOI-UHFFFAOYSA-N
XLogP4.17
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1176184
2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 4134464
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1134565
2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 3207714
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 865131
4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 23609750
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 3104342
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 3207649
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 1374606
2-amino-5-cyano-6-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 31752648
N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 3682802
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 3207633

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide (CID 3207699) is 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide is Cc1ccc2cc(C#N)c(SCC(=O)NCCc3ccccc3)nc2c1C.
What is the InChIKey of 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is SIYNYOQTETUTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-15-8-9-18-12-19(13-23)22(25-21(18)16(15)2)27-14-20(26)24-11-10-17-6-4-3-5-7-17/h3-9,12H,10-11,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 375.50 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3207699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).