N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide

C20H19ClN4OS — CID 22332644

IUPACN-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2nc1N1CCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4OS/c21-14-7-9-15(10-8-14)22-18(26)13-27-20-19(25-11-3-4-12-25)23-16-5-1-2-6-17(16)24-20/h1-2,5-10H,3-4,11-13H2,(H,22,26)
InChIKeyLYUMTBXPNAKVAC-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.61
Rot. Bonds5

About N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide

N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 22332644) has the molecular formula C20H19ClN4OS and a molecular weight of 398.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID22332644
Molecular FormulaC20H19ClN4OS
Molecular Weight398.92 g/mol
Exact Mass398.10
IUPAC NameN-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2nc1N1CCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4OS/c21-14-7-9-15(10-8-14)22-18(26)13-27-20-19(25-11-3-4-12-25)23-16-5-1-2-6-17(16)24-20/h1-2,5-10H,3-4,11-13H2,(H,22,26)
InChIKeyLYUMTBXPNAKVAC-UHFFFAOYSA-N
XLogP4.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine
CID 118726542
N-(3,5-dichloro-2-pyridinyl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide
CID 4273555
N-[4-(acetylamino)phenyl]-2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]thio}acetamide
CID 15991457
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-(2,3-Dimethylphenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332534
N-(4-Fluorophenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332536
N-(3,5-Dimethylphenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332537
N-(4-Methylphenyl)-2-{[3-(pyrrolidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332560
N-(4-Fluorophenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332587
7-chloro-N-cyclohexyl-3-methylsulfanylquinoxalin-2-amine
CID 118726524

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide (CID 22332644) is N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide is O=C(CSc1nc2ccccc2nc1N1CCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is LYUMTBXPNAKVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4OS/c21-14-7-9-15(10-8-14)22-18(26)13-27-20-19(25-11-3-4-12-25)23-16-5-1-2-6-17(16)24-20/h1-2,5-10H,3-4,11-13H2,(H,22,26).
What are the key properties of N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 398.92 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 22332644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).