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

C23H26N4OS — CID 22332533

IUPACN-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCC(C)c1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C23H26N4OS/c1-16(2)17-9-11-18(12-10-17)24-21(28)15-29-23-22(27-13-5-6-14-27)25-19-7-3-4-8-20(19)26-23/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,24,28)
InChIKeyLSAVYSHQZNZNIP-UHFFFAOYSA-N
MW406.56 g/mol
LogP5.08
Rot. Bonds6

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

N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 22332533) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID22332533
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC NameN-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCC(C)c1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C23H26N4OS/c1-16(2)17-9-11-18(12-10-17)24-21(28)15-29-23-22(27-13-5-6-14-27)25-19-7-3-4-8-20(19)26-23/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,24,28)
InChIKeyLSAVYSHQZNZNIP-UHFFFAOYSA-N
XLogP5.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.56
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332652
2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 46357715
N-[(4-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332549
N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide
CID 92651661
N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide
CID 92651660
2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 2079358
2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 92505337
2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 92505335
1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone
CID 99701778
N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 53052143
(3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 95063737
1-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone
CID 98206789

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide (CID 22332533) is N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide is CC(C)c1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is LSAVYSHQZNZNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-16(2)17-9-11-18(12-10-17)24-21(28)15-29-23-22(27-13-5-6-14-27)25-19-7-3-4-8-20(19)26-23/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,24,28).
What are the key properties of N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 406.56 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 22332533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).