N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide

C21H23N3O3S — CID 55652238

IUPACN-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(c3ccccc3)C2)c1
InChIInChI=1S/C21H23N3O3S/c1-2-12-23-28(26,27)20-10-6-7-18(14-20)21(25)22-15-17-11-13-24(16-17)19-8-4-3-5-9-19/h1,3-10,14,17,23H,11-13,15-16H2,(H,22,25)
InChIKeyWFOGIDDZACOLAB-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.85
Rot. Bonds7

About N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide

N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 55652238) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID55652238
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(c3ccccc3)C2)c1
InChIInChI=1S/C21H23N3O3S/c1-2-12-23-28(26,27)20-10-6-7-18(14-20)21(25)22-15-17-11-13-24(16-17)19-8-4-3-5-9-19/h1,3-10,14,17,23H,11-13,15-16H2,(H,22,25)
InChIKeyWFOGIDDZACOLAB-UHFFFAOYSA-N
XLogP1.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)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

3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
3-(3-oxopiperazin-1-yl)sulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 43071255
3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640446
N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 46403235
3-(prop-2-ynylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55813841
N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27018001
4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 47026976
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24642334
3-ethynyl-2-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 167781608
3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55652196

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide (CID 55652238) is N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(c3ccccc3)C2)c1.
What is the InChIKey of N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is WFOGIDDZACOLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-2-12-23-28(26,27)20-10-6-7-18(14-20)21(25)22-15-17-11-13-24(16-17)19-8-4-3-5-9-19/h1,3-10,14,17,23H,11-13,15-16H2,(H,22,25).
What are the key properties of N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 397.50 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 55652238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).