N-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide

C26H33N3O3S — CID 129098230

IUPACN-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C26H33N3O3S/c30-26(28-33(31,32)23-10-11-23)22-8-6-20(7-9-22)18-29-14-12-19(13-15-29)17-27-25-16-24(25)21-4-2-1-3-5-21/h1-9,19,23-25,27H,10-18H2,(H,28,30)/t24-,25+/m0/s1
InChIKeyJOINKBJKBLDHJL-LOSJGSFVSA-N
MW467.64 g/mol
LogP3.27
Rot. Bonds9

About N-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide

N-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide (PubChem CID 129098230) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide
PubChem CID129098230
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC NameN-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C26H33N3O3S/c30-26(28-33(31,32)23-10-11-23)22-8-6-20(7-9-22)18-29-14-12-19(13-15-29)17-27-25-16-24(25)21-4-2-1-3-5-21/h1-9,19,23-25,27H,10-18H2,(H,28,30)/t24-,25+/m0/s1
InChIKeyJOINKBJKBLDHJL-LOSJGSFVSA-N
XLogP3.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide with MolForge

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Related Compounds

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4-[4-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzamide
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N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
CID 162640822
N-hydroxy-4-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
CID 162640823
N-hydroxy-4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide
CID 162674105
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CID 1151587
(4-Phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 1151712
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N-(1-([1,1'-Biphenyl]-4-yl)ethyl)-4-((methylsulfonyl)methyl)benzamide
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N-[2-[(2-methylcyclohexyl)sulfamoyl]ethyl]benzamide
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4-[[(4-butan-2-ylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 24679157

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide?
The IUPAC name of N-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide (CID 129098230) is N-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide is O=C(NS(=O)(=O)C1CC1)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of N-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide?
The InChIKey is JOINKBJKBLDHJL-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H33N3O3S/c30-26(28-33(31,32)23-10-11-23)22-8-6-20(7-9-22)18-29-14-12-19(13-15-29)17-27-25-16-24(25)21-4-2-1-3-5-21/h1-9,19,23-25,27H,10-18H2,(H,28,30)/t24-,25+/m0/s1.
What are the key properties of N-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide?
N-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide has a molecular weight of 467.64 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 129098230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).