N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide

C23H30N2O3S — CID 92901350

IUPACN-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2O3S/c1-23(2,3)20-11-13-21(14-12-20)29(27,28)25-15-7-8-18(17-25)16-24-22(26)19-9-5-4-6-10-19/h4-6,9-14,18H,7-8,15-17H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyCRHISJPPGIIDDT-GOSISDBHSA-N
MW414.57 g/mol
LogP3.81
Rot. Bonds5

About N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide

N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide (PubChem CID 92901350) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
PubChem CID92901350
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2O3S/c1-23(2,3)20-11-13-21(14-12-20)29(27,28)25-15-7-8-18(17-25)16-24-22(26)19-9-5-4-6-10-19/h4-6,9-14,18H,7-8,15-17H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyCRHISJPPGIIDDT-GOSISDBHSA-N
XLogP3.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide
CID 92901348
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
2-[[1-(4-phenylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120726975
4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
CID 50847857
(3S)-1-(4-tert-butylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 7441886
tert-butyl N-[[(3R)-1-[4-(bromomethyl)phenyl]sulfonylpiperidin-3-yl]methyl]carbamate
CID 97174430
N-[[1-(5-tert-butyl-2,3-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]acetamide
CID 131906798
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 90535472
[2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]-phenylmethanone;hydrochloride
CID 120999042

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide?
The IUPAC name of N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide (CID 92901350) is N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide is CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1.
What is the InChIKey of N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide?
The InChIKey is CRHISJPPGIIDDT-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-23(2,3)20-11-13-21(14-12-20)29(27,28)25-15-7-8-18(17-25)16-24-22(26)19-9-5-4-6-10-19/h4-6,9-14,18H,7-8,15-17H2,1-3H3,(H,24,26)/t18-/m1/s1.
What are the key properties of N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide?
N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide has a molecular weight of 414.57 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 92901350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).