N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide

C23H30N2O3S — CID 92901348

IUPACN-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2O3S/c1-18(2)15-19-10-12-22(13-11-19)29(27,28)25-14-6-7-20(17-25)16-24-23(26)21-8-4-3-5-9-21/h3-5,8-13,18,20H,6-7,14-17H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyHYFDHSKWDALELK-HXUWFJFHSA-N
MW414.57 g/mol
LogP3.72
Rot. Bonds7

About N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide

N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide (PubChem CID 92901348) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide
PubChem CID92901348
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2O3S/c1-18(2)15-19-10-12-22(13-11-19)29(27,28)25-14-6-7-20(17-25)16-24-23(26)21-8-4-3-5-9-21/h3-5,8-13,18,20H,6-7,14-17H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyHYFDHSKWDALELK-HXUWFJFHSA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
CID 92901350
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CID 2666739
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
2-[[1-(4-phenylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120726975
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
N-(cyclohexylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4811437
4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
CID 50847857
tert-butyl N-[[(3R)-1-[4-(bromomethyl)phenyl]sulfonylpiperidin-3-yl]methyl]carbamate
CID 97174430
N-benzyl-3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]propanamide
CID 91903725
N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride
CID 119766235

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide?
The IUPAC name of N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide (CID 92901348) is N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide is CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1.
What is the InChIKey of N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide?
The InChIKey is HYFDHSKWDALELK-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-18(2)15-19-10-12-22(13-11-19)29(27,28)25-14-6-7-20(17-25)16-24-23(26)21-8-4-3-5-9-21/h3-5,8-13,18,20H,6-7,14-17H2,1-2H3,(H,24,26)/t20-/m1/s1.
What are the key properties of N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide?
N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide has a molecular weight of 414.57 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 92901348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).