2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide

C21H22N4O4S — CID 55737221

IUPAC2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H22N4O4S/c26-20(15-25-19-6-2-1-5-18(19)22-14-21(25)27)23-13-16-7-9-17(10-8-16)30(28,29)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13,15H2,(H,23,26)
InChIKeyFESDYOVSCUYSGA-UHFFFAOYSA-N
MW426.50 g/mol
LogP1.50
Rot. Bonds6

About 2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide

2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide (PubChem CID 55737221) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
PubChem CID55737221
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H22N4O4S/c26-20(15-25-19-6-2-1-5-18(19)22-14-21(25)27)23-13-16-7-9-17(10-8-16)30(28,29)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13,15H2,(H,23,26)
InChIKeyFESDYOVSCUYSGA-UHFFFAOYSA-N
XLogP1.50
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-oxoquinoxalin-1-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 27168668
N,N-dimethyl-4-[[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]methyl]benzamide
CID 134039211
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide
CID 55737335
1-benzyl-3-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]thiourea
CID 18271624
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 27532866
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
1-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 27799698
2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875012
2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759228
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 26265970
N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992671

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide (CID 55737221) is 2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide is O=C(Cn1c(=O)cnc2ccccc21)NCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is FESDYOVSCUYSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c26-20(15-25-19-6-2-1-5-18(19)22-14-21(25)27)23-13-16-7-9-17(10-8-16)30(28,29)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13,15H2,(H,23,26).
What are the key properties of 2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide?
2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 426.50 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoquinoxalin-1-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 55737221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).