4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide

C16H24N2O3S — CID 53286074

IUPAC4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-13(2)17-16(19)15-8-6-14(7-9-15)12-22(20,21)18-10-4-3-5-11-18/h6-9,13H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyIJQWHTOVPMOPPF-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.14
Rot. Bonds5

About 4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide

4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide (PubChem CID 53286074) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
PubChem CID53286074
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-13(2)17-16(19)15-8-6-14(7-9-15)12-22(20,21)18-10-4-3-5-11-18/h6-9,13H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyIJQWHTOVPMOPPF-UHFFFAOYSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43909251
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 93487370
N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 28569285
N-(1-phenylpropyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43875835
N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99949383
N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 53285985
N-[(2R)-1-methoxypropan-2-yl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 95396866
N-[(2S)-1-methoxypropan-2-yl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 95396865
N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393222
4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide (CID 53286074) is 4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is IJQWHTOVPMOPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13(2)17-16(19)15-8-6-14(7-9-15)12-22(20,21)18-10-4-3-5-11-18/h6-9,13H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of 4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide?
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 324.45 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 53286074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).