N-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

C22H34N2O3S — CID 26516412

IUPACN-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1
InChIInChI=1S/C22H34N2O3S/c1-17(2)18-9-11-21(12-10-18)28(26,27)24-15-13-19(14-16-24)22(25)23-20-7-5-3-4-6-8-20/h9-12,17,19-20H,3-8,13-16H2,1-2H3,(H,23,25)
InChIKeyIYHJTFSUNHJEOJ-UHFFFAOYSA-N
MW406.59 g/mol
LogP4.05
Rot. Bonds5

About N-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26516412) has the molecular formula C22H34N2O3S and a molecular weight of 406.59 g/mol. Its IUPAC name is N-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26516412
Molecular FormulaC22H34N2O3S
Molecular Weight406.59 g/mol
Exact Mass406.23
IUPAC NameN-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1
InChIInChI=1S/C22H34N2O3S/c1-17(2)18-9-11-21(12-10-18)28(26,27)24-15-13-19(14-16-24)22(25)23-20-7-5-3-4-6-8-20/h9-12,17,19-20H,3-8,13-16H2,1-2H3,(H,23,25)
InChIKeyIYHJTFSUNHJEOJ-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.59
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (CID 26516412) is N-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1.
What is the InChIKey of N-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is IYHJTFSUNHJEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3S/c1-17(2)18-9-11-21(12-10-18)28(26,27)24-15-13-19(14-16-24)22(25)23-20-7-5-3-4-6-8-20/h9-12,17,19-20H,3-8,13-16H2,1-2H3,(H,23,25).
What are the key properties of N-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 406.59 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26516412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).