N-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide

C28H36N2O4S — CID 46416448

IUPACN-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)CC2)c(C)c1
InChIInChI=1S/C28H36N2O4S/c1-20-12-13-26(21(2)18-20)27(31)22-14-16-30(17-15-22)28(32)23-8-7-11-25(19-23)35(33,34)29(3)24-9-5-4-6-10-24/h7-8,11-13,18-19,22,24H,4-6,9-10,14-17H2,1-3H3
InChIKeyDMXXNIKKFPCMEI-UHFFFAOYSA-N
MW496.67 g/mol
LogP4.99
Rot. Bonds6

About N-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide

N-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide (PubChem CID 46416448) has the molecular formula C28H36N2O4S and a molecular weight of 496.67 g/mol. Its IUPAC name is N-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
PubChem CID46416448
Molecular FormulaC28H36N2O4S
Molecular Weight496.67 g/mol
Exact Mass496.24
IUPAC NameN-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)CC2)c(C)c1
InChIInChI=1S/C28H36N2O4S/c1-20-12-13-26(21(2)18-20)27(31)22-14-16-30(17-15-22)28(32)23-8-7-11-25(19-23)35(33,34)29(3)24-9-5-4-6-10-24/h7-8,11-13,18-19,22,24H,4-6,9-10,14-17H2,1-3H3
InChIKeyDMXXNIKKFPCMEI-UHFFFAOYSA-N
XLogP4.99
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.67
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 32769750
N-cyclohexyl-3-(1,4-diazepane-1-carbonyl)-N-methylbenzenesulfonamide
CID 119416583
3-(azetidine-1-carbonyl)-N-methyl-N-(thian-4-yl)benzenesulfonamide
CID 77083695
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 43035629
3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55956075
N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55468843
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250
3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 18143310
[1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone
CID 34162008
4-(4-aminopiperidine-1-carbonyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 119375160
3-(azepane-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 35810133

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide (CID 46416448) is N-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide is Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)CC2)c(C)c1.
What is the InChIKey of N-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
The InChIKey is DMXXNIKKFPCMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O4S/c1-20-12-13-26(21(2)18-20)27(31)22-14-16-30(17-15-22)28(32)23-8-7-11-25(19-23)35(33,34)29(3)24-9-5-4-6-10-24/h7-8,11-13,18-19,22,24H,4-6,9-10,14-17H2,1-3H3.
What are the key properties of N-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide?
N-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide has a molecular weight of 496.67 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 46416448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).