N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C23H36N2O4S — CID 108566208

IUPACN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C23H36N2O4S/c1-17-15-21(29-3)22(16-18(17)2)30(27,28)24-20-11-13-25(14-12-20)23(26)10-9-19-7-5-4-6-8-19/h15-16,19-20,24H,4-14H2,1-3H3
InChIKeyGIBQSZWMMYSWHH-UHFFFAOYSA-N
MW436.62 g/mol
LogP3.94
Rot. Bonds7

About N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 108566208) has the molecular formula C23H36N2O4S and a molecular weight of 436.62 g/mol. Its IUPAC name is N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID108566208
Molecular FormulaC23H36N2O4S
Molecular Weight436.62 g/mol
Exact Mass436.24
IUPAC NameN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C23H36N2O4S/c1-17-15-21(29-3)22(16-18(17)2)30(27,28)24-20-11-13-25(14-12-20)23(26)10-9-19-7-5-4-6-8-19/h15-16,19-20,24H,4-14H2,1-3H3
InChIKeyGIBQSZWMMYSWHH-UHFFFAOYSA-N
XLogP3.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108566166
2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108566975
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108564642
4-chloro-N-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823741
ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 35308238
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide
CID 33163817
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108549239
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108564145
methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate
CID 108566198
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566173

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 108566208) is N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1.
What is the InChIKey of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is GIBQSZWMMYSWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4S/c1-17-15-21(29-3)22(16-18(17)2)30(27,28)24-20-11-13-25(14-12-20)23(26)10-9-19-7-5-4-6-8-19/h15-16,19-20,24H,4-14H2,1-3H3.
What are the key properties of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 436.62 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 108566208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).