N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide

C20H22N4O3S — CID 36607696

IUPACN-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C20H22N4O3S/c1-14(2)24-28(26,27)13-16-9-7-15(8-10-16)11-22-20(25)19-12-21-17-5-3-4-6-18(17)23-19/h3-10,12,14,24H,11,13H2,1-2H3,(H,22,25)
InChIKeyNVZLIEIEBYMKHW-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.39
Rot. Bonds7

About N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide

N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide (PubChem CID 36607696) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide
PubChem CID36607696
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C20H22N4O3S/c1-14(2)24-28(26,27)13-16-9-7-15(8-10-16)11-22-20(25)19-12-21-17-5-3-4-6-18(17)23-19/h3-10,12,14,24H,11,13H2,1-2H3,(H,22,25)
InChIKeyNVZLIEIEBYMKHW-UHFFFAOYSA-N
XLogP2.39
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide
CID 55737335
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416
N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide
CID 134021244
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 36607768
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55758428
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 52541663
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
CID 17418457
2-(1,3-benzothiazol-2-ylamino)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 24684927
2-phenylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30377466
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 32981293

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide (CID 36607696) is N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide is CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2cnc3ccccc3n2)cc1.
What is the InChIKey of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide?
The InChIKey is NVZLIEIEBYMKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14(2)24-28(26,27)13-16-9-7-15(8-10-16)11-22-20(25)19-12-21-17-5-3-4-6-18(17)23-19/h3-10,12,14,24H,11,13H2,1-2H3,(H,22,25).
What are the key properties of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide?
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 36607696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).