3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide

C21H32N2O4S — CID 3988965

IUPAC3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H32N2O4S/c1-27-19-12-11-18(22-21(24)13-10-17-8-4-2-5-9-17)16-20(19)28(25,26)23-14-6-3-7-15-23/h11-12,16-17H,2-10,13-15H2,1H3,(H,22,24)
InChIKeyJLEZLOJODGFQKE-UHFFFAOYSA-N
MW408.56 g/mol
LogP4.17
Rot. Bonds7

About 3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide

3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 3988965) has the molecular formula C21H32N2O4S and a molecular weight of 408.56 g/mol. Its IUPAC name is 3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID3988965
Molecular FormulaC21H32N2O4S
Molecular Weight408.56 g/mol
Exact Mass408.21
IUPAC Name3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H32N2O4S/c1-27-19-12-11-18(22-21(24)13-10-17-8-4-2-5-9-17)16-20(19)28(25,26)23-14-6-3-7-15-23/h11-12,16-17H,2-10,13-15H2,1H3,(H,22,24)
InChIKeyJLEZLOJODGFQKE-UHFFFAOYSA-N
XLogP4.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.56
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide (CID 3988965) is 3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccc(NC(=O)CCC2CCCCC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is JLEZLOJODGFQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4S/c1-27-19-12-11-18(22-21(24)13-10-17-8-4-2-5-9-17)16-20(19)28(25,26)23-14-6-3-7-15-23/h11-12,16-17H,2-10,13-15H2,1H3,(H,22,24).
What are the key properties of 3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 408.56 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 3988965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).