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

C26H35N3O3S — CID 129098168

IUPACN-tert-butylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1ccc(CN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C26H35N3O3S/c1-26(2,3)33(31,32)28-25(30)21-11-9-19(10-12-21)18-29-15-13-22(14-16-29)27-24-17-23(24)20-7-5-4-6-8-20/h4-12,22-24,27H,13-18H2,1-3H3,(H,28,30)/t23-,24+/m0/s1
InChIKeyAUMNDYYNNGHQNU-BJKOFHAPSA-N
MW469.65 g/mol
LogP3.65
Rot. Bonds7

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

N-tert-butylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide (PubChem CID 129098168) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is N-tert-butylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
PubChem CID129098168
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC NameN-tert-butylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1ccc(CN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C26H35N3O3S/c1-26(2,3)33(31,32)28-25(30)21-11-9-19(10-12-21)18-29-15-13-22(14-16-29)27-24-17-23(24)20-7-5-4-6-8-20/h4-12,22-24,27H,13-18H2,1-3H3,(H,28,30)/t23-,24+/m0/s1
InChIKeyAUMNDYYNNGHQNU-BJKOFHAPSA-N
XLogP3.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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CID 134817795
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CID 145952794
4-{4-[(2R)-2-fluoro-1-(propane-2-sulfonamido)propan-2-yl]phenyl}-N-methylbenzamide
CID 9952446
N-(1-benzylpiperidin-4-yl)-4-tert-butylbenzamide
CID 2729530
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CID 2931509
N,N-Dimethyl-4-(phenyl-piperazin-1-yl-methyl)-benzamide
CID 10496165
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CID 10642101
N,N-Diethyl-4-(phenyl-piperidin-4-yl-methyl)-benzamide
CID 10760345
N-(2-phenylethyl)-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 53359813
N-[2-(3,4-dimethylphenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71449441
N-(3-phenylpropyl)-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71453044
4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide?
The IUPAC name of N-tert-butylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide (CID 129098168) is N-tert-butylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-tert-butylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-tert-butylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide is CC(C)(C)S(=O)(=O)NC(=O)c1ccc(CN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of N-tert-butylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide?
The InChIKey is AUMNDYYNNGHQNU-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-26(2,3)33(31,32)28-25(30)21-11-9-19(10-12-21)18-29-15-13-22(14-16-29)27-24-17-23(24)20-7-5-4-6-8-20/h4-12,22-24,27H,13-18H2,1-3H3,(H,28,30)/t23-,24+/m0/s1.
What are the key properties of N-tert-butylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide?
N-tert-butylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide has a molecular weight of 469.65 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 129098168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).