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

C20H25N3O4S — CID 55652196

IUPAC4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NCC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C20H25N3O4S/c1-22(27-2)28(25,26)19-10-8-17(9-11-19)20(24)21-14-16-12-13-23(15-16)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,21,24)
InChIKeyBNYLSMXEZAOWHE-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.12
Rot. Bonds7

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

4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 55652196) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
PubChem CID55652196
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NCC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C20H25N3O4S/c1-22(27-2)28(25,26)19-10-8-17(9-11-19)20(24)21-14-16-12-13-23(15-16)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,21,24)
InChIKeyBNYLSMXEZAOWHE-UHFFFAOYSA-N
XLogP2.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 46403235
4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 47026976
6-(dimethylamino)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 38441786
[4-[(1-phenylpyrrolidin-3-yl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate
CID 46441595
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 38442601
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 110640547
4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 75857687
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55652238
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
3-hydroxy-4-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 38442258
3-ethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]-4-propoxybenzamide
CID 46441486

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide (CID 55652196) is 4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide is CON(C)S(=O)(=O)c1ccc(C(=O)NCC2CCN(c3ccccc3)C2)cc1.
What is the InChIKey of 4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is BNYLSMXEZAOWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-22(27-2)28(25,26)19-10-8-17(9-11-19)20(24)21-14-16-12-13-23(15-16)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,21,24).
What are the key properties of 4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 55652196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).