N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide

C22H23ClN4O2S — CID 22332652

IUPACN-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)cc1Cl
InChIInChI=1S/C22H23ClN4O2S/c1-29-19-10-9-15(13-16(19)23)24-20(28)14-30-22-21(27-11-5-2-6-12-27)25-17-7-3-4-8-18(17)26-22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,28)
InChIKeyGFKCHEZQFWNSFA-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.01
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide

N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 22332652) has the molecular formula C22H23ClN4O2S and a molecular weight of 442.97 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID22332652
Molecular FormulaC22H23ClN4O2S
Molecular Weight442.97 g/mol
Exact Mass442.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)cc1Cl
InChIInChI=1S/C22H23ClN4O2S/c1-29-19-10-9-15(13-16(19)23)24-20(28)14-30-22-21(27-11-5-2-6-12-27)25-17-7-3-4-8-18(17)26-22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,28)
InChIKeyGFKCHEZQFWNSFA-UHFFFAOYSA-N
XLogP5.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-propan-2-ylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332533
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N-(3-chloro-4-methylphenyl)-2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanylacetamide
CID 92651660
N-(3-chloro-4-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide
CID 30144590
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009742
N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922104
N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
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N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
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2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 8000000
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4032809
N-(3-chloro-4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573514
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide (CID 22332652) is N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is GFKCHEZQFWNSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2S/c1-29-19-10-9-15(13-16(19)23)24-20(28)14-30-22-21(27-11-5-2-6-12-27)25-17-7-3-4-8-18(17)26-22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 442.97 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 22332652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).