N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C21H25N3O4S — CID 47731927

IUPACN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H25N3O4S/c1-14(2)24(3)29(27,28)16-10-8-15(9-11-16)13-22-21(26)18-12-20(25)23-19-7-5-4-6-17(18)19/h4-11,14,18H,12-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyNABDQLULEVYISR-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.46
Rot. Bonds6

About N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 47731927) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID47731927
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H25N3O4S/c1-14(2)24(3)29(27,28)16-10-8-15(9-11-16)13-22-21(26)18-12-20(25)23-19-7-5-4-6-17(18)19/h4-11,14,18H,12-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyNABDQLULEVYISR-UHFFFAOYSA-N
XLogP2.46
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 47731927) is N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is NABDQLULEVYISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-14(2)24(3)29(27,28)16-10-8-15(9-11-16)13-22-21(26)18-12-20(25)23-19-7-5-4-6-17(18)19/h4-11,14,18H,12-13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 47731927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).