N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide

C19H28N2O3S — CID 3218785

IUPACN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-15-7-9-18(10-8-15)25(23,24)21-13-11-17(12-14-21)20-19(22)16-5-3-2-4-6-16/h7-10,16-17H,2-6,11-14H2,1H3,(H,20,22)
InChIKeyICBVFOBMNRJEAP-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.84
Rot. Bonds4

About N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide

N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide (PubChem CID 3218785) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
PubChem CID3218785
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-15-7-9-18(10-8-15)25(23,24)21-13-11-17(12-14-21)20-19(22)16-5-3-2-4-6-16/h7-10,16-17H,2-6,11-14H2,1H3,(H,20,22)
InChIKeyICBVFOBMNRJEAP-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide (CID 3218785) is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is ICBVFOBMNRJEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15-7-9-18(10-8-15)25(23,24)21-13-11-17(12-14-21)20-19(22)16-5-3-2-4-6-16/h7-10,16-17H,2-6,11-14H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 364.51 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 3218785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).