N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide

C26H33N3O3S — CID 91155480

IUPACN-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide
SMILESCC(CNCc1ccccc1NS(=O)(=O)c1ccc2c(ccc(=O)n2C)c1)C1CCCCC1
InChIInChI=1S/C26H33N3O3S/c1-19(20-8-4-3-5-9-20)17-27-18-22-10-6-7-11-24(22)28-33(31,32)23-13-14-25-21(16-23)12-15-26(30)29(25)2/h6-7,10-16,19-20,27-28H,3-5,8-9,17-18H2,1-2H3
InChIKeyZWGRTYFECWKTAY-UHFFFAOYSA-N
MW467.64 g/mol
LogP4.65
Rot. Bonds8

About N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide

N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide (PubChem CID 91155480) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide
PubChem CID91155480
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC NameN-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide
SMILESCC(CNCc1ccccc1NS(=O)(=O)c1ccc2c(ccc(=O)n2C)c1)C1CCCCC1
InChIInChI=1S/C26H33N3O3S/c1-19(20-8-4-3-5-9-20)17-27-18-22-10-6-7-11-24(22)28-33(31,32)23-13-14-25-21(16-23)12-15-26(30)29(25)2/h6-7,10-16,19-20,27-28H,3-5,8-9,17-18H2,1-2H3
InChIKeyZWGRTYFECWKTAY-UHFFFAOYSA-N
XLogP4.65
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 91030950
1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide
CID 70985171
[4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate
CID 69154090
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-6-(tetrazol-1-yl)pyridine-3-sulfonamide
CID 91195144
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]formamide
CID 87716622
N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 69154834
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide
CID 2470223
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride
CID 53350941
4-(4-chlorophenyl)sulfonyl-N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]piperazine-1-carboxamide
CID 69155111
1-[(2-cyclopropylpropylamino)methyl]-2-(sulfinatoamino)benzene
CID 91357847
N-[2-[(2-cyclohexylpropylamino)methyl]-3-pyridinyl]-3-fluoro-4-(1,2,4-triazol-1-yl)benzenesulfonamide
CID 90709035
1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea
CID 68950031

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide?
The IUPAC name of N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide (CID 91155480) is N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide.
What is the SMILES notation for N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide?
The canonical SMILES for N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide is CC(CNCc1ccccc1NS(=O)(=O)c1ccc2c(ccc(=O)n2C)c1)C1CCCCC1.
What is the InChIKey of N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide?
The InChIKey is ZWGRTYFECWKTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-19(20-8-4-3-5-9-20)17-27-18-22-10-6-7-11-24(22)28-33(31,32)23-13-14-25-21(16-23)12-15-26(30)29(25)2/h6-7,10-16,19-20,27-28H,3-5,8-9,17-18H2,1-2H3.
What are the key properties of N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide?
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide has a molecular weight of 467.64 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide is sourced from PubChem (CID 91155480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).