4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

C20H30N2O3S — CID 2579926

IUPAC4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C20H30N2O3S/c1-26(24,25)18-10-8-17(9-11-18)19(23)21-16-20(12-4-2-5-13-20)22-14-6-3-7-15-22/h8-11H,2-7,12-16H2,1H3,(H,21,23)
InChIKeyFBYNCHKAXDIAET-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.01
Rot. Bonds5

About 4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 2579926) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID2579926
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C20H30N2O3S/c1-26(24,25)18-10-8-17(9-11-18)19(23)21-16-20(12-4-2-5-13-20)22-14-6-3-7-15-22/h8-11H,2-7,12-16H2,1H3,(H,21,23)
InChIKeyFBYNCHKAXDIAET-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (CID 2579926) is 4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is CS(=O)(=O)c1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1.
What is the InChIKey of 4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is FBYNCHKAXDIAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-26(24,25)18-10-8-17(9-11-18)19(23)21-16-20(12-4-2-5-13-20)22-14-6-3-7-15-22/h8-11H,2-7,12-16H2,1H3,(H,21,23).
What are the key properties of 4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 378.54 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 2579926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).