N-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C21H32N2O3S — CID 26711777

IUPACN-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c(C)c1
InChIInChI=1S/C21H32N2O3S/c1-16-9-10-20(17(2)15-16)27(25,26)23-13-11-18(12-14-23)21(24)22-19-7-5-3-4-6-8-19/h9-10,15,18-19H,3-8,11-14H2,1-2H3,(H,22,24)
InChIKeyLJFHPWXJDBHGHG-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.54
Rot. Bonds4

About N-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26711777) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is N-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26711777
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC NameN-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c(C)c1
InChIInChI=1S/C21H32N2O3S/c1-16-9-10-20(17(2)15-16)27(25,26)23-13-11-18(12-14-23)21(24)22-19-7-5-3-4-6-8-19/h9-10,15,18-19H,3-8,11-14H2,1-2H3,(H,22,24)
InChIKeyLJFHPWXJDBHGHG-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 26711777) is N-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c(C)c1.
What is the InChIKey of N-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LJFHPWXJDBHGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-16-9-10-20(17(2)15-16)27(25,26)23-13-11-18(12-14-23)21(24)22-19-7-5-3-4-6-8-19/h9-10,15,18-19H,3-8,11-14H2,1-2H3,(H,22,24).
What are the key properties of N-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 392.57 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26711777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).