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

C21H22N4O2S — CID 22332528

IUPACN-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C21H22N4O2S/c1-27-16-10-8-15(9-11-16)22-19(26)14-28-21-20(25-12-4-5-13-25)23-17-6-2-3-7-18(17)24-21/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,26)
InChIKeySWJVJCQVSRZSMM-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.97
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 22332528) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
PubChem CID22332528
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C21H22N4O2S/c1-27-16-10-8-15(9-11-16)22-19(26)14-28-21-20(25-12-4-5-13-25)23-17-6-2-3-7-18(17)24-21/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,26)
InChIKeySWJVJCQVSRZSMM-UHFFFAOYSA-N
XLogP3.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Methoxyphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991418
3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 56680379
N-cyclohexyl-6-methoxy-3-methylsulfonylquinoxalin-2-amine
CID 118726530
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-methoxyphenyl)-
CID 207452
2-({2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}thio)-1H-benzimidazole
CID 2228811
N-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309400
N-(4-methoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
CID 3214193
N-(2-Ethoxyphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991426
N-(4-Ethoxyphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991435
N-(2,4-Dimethoxyphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991440
N-(2-Methoxy-5-methylphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991441
N-(5-Chloro-2-methoxyphenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991454

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide (CID 22332528) is N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is SWJVJCQVSRZSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-27-16-10-8-15(9-11-16)22-19(26)14-28-21-20(25-12-4-5-13-25)23-17-6-2-3-7-18(17)24-21/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,26).
What are the key properties of N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide?
N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 394.50 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 22332528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).