N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide

C24H25N3O3S — CID 46403235

IUPACN-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide
SMILESO=C(NCC1CCN(c2ccccc2)C1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H25N3O3S/c28-24(25-17-19-15-16-27(18-19)22-9-5-2-6-10-22)20-11-13-23(14-12-20)31(29,30)26-21-7-3-1-4-8-21/h1-14,19,26H,15-18H2,(H,25,28)
InChIKeyJGIMRTJFEPLNQE-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.74
Rot. Bonds7

About N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide

N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide (PubChem CID 46403235) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide
PubChem CID46403235
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide
SMILESO=C(NCC1CCN(c2ccccc2)C1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H25N3O3S/c28-24(25-17-19-15-16-27(18-19)22-9-5-2-6-10-22)20-11-13-23(14-12-20)31(29,30)26-21-7-3-1-4-8-21/h1-14,19,26H,15-18H2,(H,25,28)
InChIKeyJGIMRTJFEPLNQE-UHFFFAOYSA-N
XLogP3.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 47026976
4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55652196
4-(phenylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461716
[4-[(1-phenylpyrrolidin-3-yl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate
CID 46441595
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55652238
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 38442601
3-hydroxy-4-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 38442258
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 55938757
6-(dimethylamino)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 38441786
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 118720903

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide (CID 46403235) is N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide is O=C(NCC1CCN(c2ccccc2)C1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide?
The InChIKey is JGIMRTJFEPLNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-24(25-17-19-15-16-27(18-19)22-9-5-2-6-10-22)20-11-13-23(14-12-20)31(29,30)26-21-7-3-1-4-8-21/h1-14,19,26H,15-18H2,(H,25,28).
What are the key properties of N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide?
N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide has a molecular weight of 435.55 g/mol, XLogP of 3.74, 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]-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 46403235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).