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

C19H23N3O3S — CID 47026976

IUPAC4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C19H23N3O3S/c1-26(24,25)21-17-9-7-16(8-10-17)19(23)20-13-15-11-12-22(14-15)18-5-3-2-4-6-18/h2-10,15,21H,11-14H2,1H3,(H,20,23)
InChIKeyOQTVLMQUUCKSDO-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.31
Rot. Bonds6

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

4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 47026976) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
PubChem CID47026976
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C19H23N3O3S/c1-26(24,25)21-17-9-7-16(8-10-17)19(23)20-13-15-11-12-22(14-15)18-5-3-2-4-6-18/h2-10,15,21H,11-14H2,1H3,(H,20,23)
InChIKeyOQTVLMQUUCKSDO-UHFFFAOYSA-N
XLogP2.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 46403235
4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55652196
2-methylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 51082052
(2S)-2-methylsulfonyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]propanamide
CID 94166556
6-(dimethylamino)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 38441786
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 38442601
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55652238
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-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide (CID 47026976) is 4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide is CS(=O)(=O)Nc1ccc(C(=O)NCC2CCN(c3ccccc3)C2)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is OQTVLMQUUCKSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-26(24,25)21-17-9-7-16(8-10-17)19(23)20-13-15-11-12-22(14-15)18-5-3-2-4-6-18/h2-10,15,21H,11-14H2,1H3,(H,20,23).
What are the key properties of 4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 373.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 47026976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).