2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

C24H32N4O5S — CID 53088490

IUPAC2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N(C)Cc1ccco1)C(=O)C1CCCCN21
InChIInChI=1S/C24H32N4O5S/c1-4-26(5-2)34(31,32)19-11-12-20-22(15-19)28(24(30)21-10-6-7-13-27(20)21)17-23(29)25(3)16-18-9-8-14-33-18/h8-9,11-12,14-15,21H,4-7,10,13,16-17H2,1-3H3
InChIKeyGTPCWNVSHDJTTG-UHFFFAOYSA-N
MW488.61 g/mol
LogP2.67
Rot. Bonds8

About 2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 53088490) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is 2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID53088490
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N(C)Cc1ccco1)C(=O)C1CCCCN21
InChIInChI=1S/C24H32N4O5S/c1-4-26(5-2)34(31,32)19-11-12-20-22(15-19)28(24(30)21-10-6-7-13-27(20)21)17-23(29)25(3)16-18-9-8-14-33-18/h8-9,11-12,14-15,21H,4-7,10,13,16-17H2,1-3H3
InChIKeyGTPCWNVSHDJTTG-UHFFFAOYSA-N
XLogP2.67
TPSA94.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6aR)-3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-benzyl-N-methylacetamide
CID 95074465
2-[(6aS)-3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 95074518
(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
N-cycloheptyl-2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53088493
(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-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 95074634
(6aS)-N-(furan-2-ylmethyl)-N,5-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 92726318
(6aS)-N,N-dimethyl-6-oxo-5-(2-oxo-2-piperidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-sulfonamide
CID 93059818
(6aS)-5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-sulfonamide
CID 95073224
2-[(6aS)-3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-[(2R)-butan-2-yl]acetamide
CID 98747532
N-(furan-2-ylmethyl)-N-methyl-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 20903112
2-[7-(diethylsulfamoyl)-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 20940633

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 53088490) is 2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N(C)Cc1ccco1)C(=O)C1CCCCN21.
What is the InChIKey of 2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is GTPCWNVSHDJTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-4-26(5-2)34(31,32)19-11-12-20-22(15-19)28(24(30)21-10-6-7-13-27(20)21)17-23(29)25(3)16-18-9-8-14-33-18/h8-9,11-12,14-15,21H,4-7,10,13,16-17H2,1-3H3.
What are the key properties of 2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 488.61 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 53088490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).