1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide

C24H29N5O5S — CID 42920983

IUPAC1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C24H29N5O5S/c1-15-21(35(32,33)27(6)14-18-10-9-13-34-18)16(2)29(26-15)17(3)22(30)28-20-12-8-7-11-19(20)25-23(31)24(28,4)5/h7-13,17H,14H2,1-6H3,(H,25,31)
InChIKeyQQJSWRQWOVSIOT-UHFFFAOYSA-N
MW499.59 g/mol
LogP3.24
Rot. Bonds6

About 1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide

1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 42920983) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is 1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID42920983
Molecular FormulaC24H29N5O5S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC Name1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C24H29N5O5S/c1-15-21(35(32,33)27(6)14-18-10-9-13-34-18)16(2)29(26-15)17(3)22(30)28-20-12-8-7-11-19(20)25-23(31)24(28,4)5/h7-13,17H,14H2,1-6H3,(H,25,31)
InChIKeyQQJSWRQWOVSIOT-UHFFFAOYSA-N
XLogP3.24
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide
CID 45356004
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide
CID 17490556
N-(furan-2-ylmethyl)-1-(3-hydroxypropyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 110892021
4-[2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 24579146
N-(furan-2-ylmethyl)-N,3,5-trimethyl-1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazole-4-sulfonamide
CID 45354452
N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 36660035
N-[1-(1-benzofuran-2-yl)ethyl]-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 17400356
1-[(4-bromophenyl)methyl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 36660020
4-[(2R)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 41142947
N-(furan-2-ylmethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 17490202
3,3-dimethyl-4-[(2S)-2-(4-methylpiperazin-1-yl)propanoyl]-1H-quinoxalin-2-one
CID 9250092
3,3-dimethyl-4-[(2S)-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]propanoyl]-1H-quinoxalin-2-one
CID 40821509

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide (CID 42920983) is 1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C(C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c(C)c1S(=O)(=O)N(C)Cc1ccco1.
What is the InChIKey of 1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is QQJSWRQWOVSIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S/c1-15-21(35(32,33)27(6)14-18-10-9-13-34-18)16(2)29(26-15)17(3)22(30)28-20-12-8-7-11-19(20)25-23(31)24(28,4)5/h7-13,17H,14H2,1-6H3,(H,25,31).
What are the key properties of 1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide?
1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 499.59 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 42920983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).