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

C26H33N3O3S — CID 129098167

IUPACN-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide
SMILESO=C(Cc1ccc(CN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1)NS(=O)(=O)C1CC1
InChIInChI=1S/C26H33N3O3S/c30-26(28-33(31,32)23-10-11-23)16-19-6-8-20(9-7-19)18-29-14-12-22(13-15-29)27-25-17-24(25)21-4-2-1-3-5-21/h1-9,22-25,27H,10-18H2,(H,28,30)/t24-,25+/m0/s1
InChIKeyJIFNIWJJZXPMHC-LOSJGSFVSA-N
MW467.64 g/mol
LogP2.95
Rot. Bonds9

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

N-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 129098167) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID129098167
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC NameN-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide
SMILESO=C(Cc1ccc(CN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1)NS(=O)(=O)C1CC1
InChIInChI=1S/C26H33N3O3S/c30-26(28-33(31,32)23-10-11-23)16-19-6-8-20(9-7-19)18-29-14-12-22(13-15-29)27-25-17-24(25)21-4-2-1-3-5-21/h1-9,22-25,27H,10-18H2,(H,28,30)/t24-,25+/m0/s1
InChIKeyJIFNIWJJZXPMHC-LOSJGSFVSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-ethylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
CID 129098117
N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide
CID 129098249
(E)-3-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]-N-(phosphanylmethylsulfonyl)prop-2-enamide
CID 129121949
N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide
CID 71260436
N-(1-oxo-3-phenylpropan-2-yl)-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
CID 129121740
2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanol
CID 129279856
N-(1,2-dioxohexan-3-yl)-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
CID 129121769
N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide
CID 129279668
1-benzyl-N-(2-methylcyclopropyl)piperidin-4-amine
CID 62396493
2-[4-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]phenyl]-1-(4-phenylphenyl)ethanone
CID 149207123
4-[[3-[[(2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzamide
CID 163704417
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide (CID 129098167) is N-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide is O=C(Cc1ccc(CN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1)NS(=O)(=O)C1CC1.
What is the InChIKey of N-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is JIFNIWJJZXPMHC-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H33N3O3S/c30-26(28-33(31,32)23-10-11-23)16-19-6-8-20(9-7-19)18-29-14-12-22(13-15-29)27-25-17-24(25)21-4-2-1-3-5-21/h1-9,22-25,27H,10-18H2,(H,28,30)/t24-,25+/m0/s1.
What are the key properties of N-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide?
N-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 467.64 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 129098167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).