N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide

C22H24N4OS — CID 22332534

IUPACN-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)c1C
InChIInChI=1S/C22H24N4OS/c1-15-8-7-11-17(16(15)2)23-20(27)14-28-22-21(26-12-5-6-13-26)24-18-9-3-4-10-19(18)25-22/h3-4,7-11H,5-6,12-14H2,1-2H3,(H,23,27)
InChIKeyPVYPQPXYPLMFPP-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.58
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide

N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 22332534) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID22332534
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)c1C
InChIInChI=1S/C22H24N4OS/c1-15-8-7-11-17(16(15)2)23-20(27)14-28-22-21(26-12-5-6-13-26)24-18-9-3-4-10-19(18)25-22/h3-4,7-11H,5-6,12-14H2,1-2H3,(H,23,27)
InChIKeyPVYPQPXYPLMFPP-UHFFFAOYSA-N
XLogP4.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[1-(2-Quinolinyl)-4-piperazinyl]butyl]-4-thiazolidinone
CID 10619179
N-(3-ethylphenyl)-2-((3-(piperidin-1-yl)quinoxalin-2-yl)thio)acetamide
CID 15988512
N-(4-Butylphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991419
N-(3-Methylphenyl)-2-{[3-(4-methylpiperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991424
N-(4-Butylphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991436
N-[4-(acetylamino)phenyl]-2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]thio}acetamide
CID 15991457
N~1~-(2-ethyl-6-methylphenyl)-2-[(3-morpholino-2-quinoxalinyl)sulfanyl]acetamide
CID 15991458
N-(3,4-Dimethylphenyl)-2-({1-[2-(4-methylpiperidin-1-YL)-2-oxoethyl]-1H-1,3-benzodiazol-2-YL}sulfanyl)acetamide
CID 16028427
N-(3-Methylphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 16956475
N-(4-Ethylphenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332532
N-[4-(Propan-2-YL)phenyl]-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332533
N-(4-Fluorophenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332536

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide (CID 22332534) is N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide is Cc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is PVYPQPXYPLMFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-15-8-7-11-17(16(15)2)23-20(27)14-28-22-21(26-12-5-6-13-26)24-18-9-3-4-10-19(18)25-22/h3-4,7-11H,5-6,12-14H2,1-2H3,(H,23,27).
What are the key properties of N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 392.53 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 22332534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).