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

C22H34N2O4S — CID 4270496

IUPAC4-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCC2CCCCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H34N2O4S/c1-28-20-14-13-19(17-21(20)29(26,27)24-15-6-3-7-16-24)23-22(25)12-8-11-18-9-4-2-5-10-18/h13-14,17-18H,2-12,15-16H2,1H3,(H,23,25)
InChIKeyLOHWMUYPPYVAIT-UHFFFAOYSA-N
MW422.59 g/mol
LogP4.56
Rot. Bonds8

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

4-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide (PubChem CID 4270496) has the molecular formula C22H34N2O4S and a molecular weight of 422.59 g/mol. Its IUPAC name is 4-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
PubChem CID4270496
Molecular FormulaC22H34N2O4S
Molecular Weight422.59 g/mol
Exact Mass422.22
IUPAC Name4-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCC2CCCCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H34N2O4S/c1-28-20-14-13-19(17-21(20)29(26,27)24-15-6-3-7-16-24)23-22(25)12-8-11-18-9-4-2-5-10-18/h13-14,17-18H,2-12,15-16H2,1H3,(H,23,25)
InChIKeyLOHWMUYPPYVAIT-UHFFFAOYSA-N
XLogP4.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 4-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide (CID 4270496) is 4-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 4-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide is COc1ccc(NC(=O)CCCC2CCCCC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is LOHWMUYPPYVAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4S/c1-28-20-14-13-19(17-21(20)29(26,27)24-15-6-3-7-16-24)23-22(25)12-8-11-18-9-4-2-5-10-18/h13-14,17-18H,2-12,15-16H2,1H3,(H,23,25).
What are the key properties of 4-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide?
4-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 422.59 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 4270496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).