N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C23H31N3O4S — CID 43045382

IUPACN-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCN(CCCNC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1)Cc1ccccc1
InChIInChI=1S/C23H31N3O4S/c1-26(18-19-8-3-2-4-9-19)14-7-13-24-23(27)20-10-5-12-22(16-20)31(28,29)25-17-21-11-6-15-30-21/h2-5,8-10,12,16,21,25H,6-7,11,13-15,17-18H2,1H3,(H,24,27)
InChIKeyXGDFTZGDLOBVDU-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.40
Rot. Bonds11

About N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 43045382) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID43045382
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCN(CCCNC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1)Cc1ccccc1
InChIInChI=1S/C23H31N3O4S/c1-26(18-19-8-3-2-4-9-19)14-7-13-24-23(27)20-10-5-12-22(16-20)31(28,29)25-17-21-11-6-15-30-21/h2-5,8-10,12,16,21,25H,6-7,11,13-15,17-18H2,1H3,(H,24,27)
InChIKeyXGDFTZGDLOBVDU-UHFFFAOYSA-N
XLogP2.40
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide 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-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24538290
3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 27518057
N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 31588662
3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 43020050
N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide
CID 109063938
N-[(4-benzylmorpholin-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55526641
3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364440
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46655859

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 43045382) is N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is CN(CCCNC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is XGDFTZGDLOBVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-26(18-19-8-3-2-4-9-19)14-7-13-24-23(27)20-10-5-12-22(16-20)31(28,29)25-17-21-11-6-15-30-21/h2-5,8-10,12,16,21,25H,6-7,11,13-15,17-18H2,1H3,(H,24,27).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 445.59 g/mol, XLogP of 2.40, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 43045382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).