N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide

C27H30N2O4S — CID 175019852

IUPACN-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide
SMILESCc1cc(C)cc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3OCc3ccccc3)CC2)c1
InChIInChI=1S/C27H30N2O4S/c1-20-16-21(2)18-24(17-20)34(31,32)29-14-12-23(13-15-29)28-27(30)25-10-6-7-11-26(25)33-19-22-8-4-3-5-9-22/h3-11,16-18,23H,12-15,19H2,1-2H3,(H,28,30)
InChIKeyLAPJXNDGNKSUPW-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.47
Rot. Bonds7

About N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide

N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide (PubChem CID 175019852) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide
PubChem CID175019852
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC NameN-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide
SMILESCc1cc(C)cc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3OCc3ccccc3)CC2)c1
InChIInChI=1S/C27H30N2O4S/c1-20-16-21(2)18-24(17-20)34(31,32)29-14-12-23(13-15-29)28-27(30)25-10-6-7-11-26(25)33-19-22-8-4-3-5-9-22/h3-11,16-18,23H,12-15,19H2,1-2H3,(H,28,30)
InChIKeyLAPJXNDGNKSUPW-UHFFFAOYSA-N
XLogP4.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 86970649
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide
CID 43042819
N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide
CID 24982275
benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 162415610
4-amino-N-cyclopentyl-2-phenylmethoxybenzamide
CID 146035949
N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide
CID 78903302
ethyl 4-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 43010715
2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831789
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 163363376
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
methyl 5-(4-methylpiperazin-1-yl)sulfonyl-2-phenylmethoxybenzoate
CID 67107392

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide (CID 175019852) is N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide is Cc1cc(C)cc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3OCc3ccccc3)CC2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide?
The InChIKey is LAPJXNDGNKSUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c1-20-16-21(2)18-24(17-20)34(31,32)29-14-12-23(13-15-29)28-27(30)25-10-6-7-11-26(25)33-19-22-8-4-3-5-9-22/h3-11,16-18,23H,12-15,19H2,1-2H3,(H,28,30).
What are the key properties of N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide?
N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide has a molecular weight of 478.61 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide is sourced from PubChem (CID 175019852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).