2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide

C24H30N4O5S — CID 20940633

IUPAC2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(OC)cc1)C(=O)C1CCCN21
InChIInChI=1S/C24H30N4O5S/c1-4-26(5-2)34(31,32)19-12-13-20-22(15-19)28(24(30)21-7-6-14-27(20)21)16-23(29)25-17-8-10-18(33-3)11-9-17/h8-13,15,21H,4-7,14,16H2,1-3H3,(H,25,29)
InChIKeyDEDMGFVGTCHHBG-UHFFFAOYSA-N
MW486.59 g/mol
LogP2.68
Rot. Bonds8

About 2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide

2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 20940633) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID20940633
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(OC)cc1)C(=O)C1CCCN21
InChIInChI=1S/C24H30N4O5S/c1-4-26(5-2)34(31,32)19-12-13-20-22(15-19)28(24(30)21-7-6-14-27(20)21)16-23(29)25-17-8-10-18(33-3)11-9-17/h8-13,15,21H,4-7,14,16H2,1-3H3,(H,25,29)
InChIKeyDEDMGFVGTCHHBG-UHFFFAOYSA-N
XLogP2.68
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6aS)-3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 95074524
N-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53088493
2-[(6aR)-3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 95074569
2-[(6aS)-3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 95074634
N-(3,5-dimethylphenyl)-2-[3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53088454
2-[(6aS)-6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-methylphenyl)acetamide
CID 93059858
N-(1,3-benzodioxol-5-yl)-2-[3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53088460
2-[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 7442476
(6aR)-N,N-diethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-sulfonamide
CID 95074619
(6aS)-N,N-diethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-sulfonamide
CID 95074620
2-[(6aS)-3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(3-fluorophenyl)acetamide
CID 95074514
2-[(6aS)-6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-fluorophenyl)acetamide
CID 93059846

Frequently Asked Questions

What is the IUPAC name of 2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide (CID 20940633) is 2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(OC)cc1)C(=O)C1CCCN21.
What is the InChIKey of 2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is DEDMGFVGTCHHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-4-26(5-2)34(31,32)19-12-13-20-22(15-19)28(24(30)21-7-6-14-27(20)21)16-23(29)25-17-8-10-18(33-3)11-9-17/h8-13,15,21H,4-7,14,16H2,1-3H3,(H,25,29).
What are the key properties of 2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide?
2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 486.59 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 20940633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).