N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide

C24H30N2O5S — CID 43042819

IUPACN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3OCC3CCCO3)CC2)cc1
InChIInChI=1S/C24H30N2O5S/c1-18-8-10-21(11-9-18)32(28,29)26-14-12-19(13-15-26)25-24(27)22-6-2-3-7-23(22)31-17-20-5-4-16-30-20/h2-3,6-11,19-20H,4-5,12-17H2,1H3,(H,25,27)
InChIKeyIEKMHWSTNMRNIE-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.14
Rot. Bonds7

About N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide

N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide (PubChem CID 43042819) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide
PubChem CID43042819
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3OCC3CCCO3)CC2)cc1
InChIInChI=1S/C24H30N2O5S/c1-18-8-10-21(11-9-18)32(28,29)26-14-12-19(13-15-26)25-24(27)22-6-2-3-7-23(22)31-17-20-5-4-16-30-20/h2-3,6-11,19-20H,4-5,12-17H2,1H3,(H,25,27)
InChIKeyIEKMHWSTNMRNIE-UHFFFAOYSA-N
XLogP3.14
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 86970649
N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide
CID 175019852
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 3396448
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30797106
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 26073704
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide (CID 43042819) is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3OCC3CCCO3)CC2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is IEKMHWSTNMRNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-18-8-10-21(11-9-18)32(28,29)26-14-12-19(13-15-26)25-24(27)22-6-2-3-7-23(22)31-17-20-5-4-16-30-20/h2-3,6-11,19-20H,4-5,12-17H2,1H3,(H,25,27).
What are the key properties of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide?
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 458.58 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 43042819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).