N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

C22H36N2O4S — CID 133164270

IUPACN-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C22H36N2O4S/c1-5-7-8-18(6-2)16-23-29(26,27)19-9-10-21(28-4)20(15-19)22(25)24-13-11-17(3)12-14-24/h9-10,15,17-18,23H,5-8,11-14,16H2,1-4H3
InChIKeyZSYQXRGWTABHHU-UHFFFAOYSA-N
MW424.61 g/mol
LogP4.06
Rot. Bonds10

About N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 133164270) has the molecular formula C22H36N2O4S and a molecular weight of 424.61 g/mol. Its IUPAC name is N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID133164270
Molecular FormulaC22H36N2O4S
Molecular Weight424.61 g/mol
Exact Mass424.24
IUPAC NameN-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C22H36N2O4S/c1-5-7-8-18(6-2)16-23-29(26,27)19-9-10-21(28-4)20(15-19)22(25)24-13-11-17(3)12-14-24/h9-10,15,17-18,23H,5-8,11-14,16H2,1-4H3
InChIKeyZSYQXRGWTABHHU-UHFFFAOYSA-N
XLogP4.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 21368120
N-(2-ethylhexyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 133229560
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide
CID 99958491
4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 100566892
N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280836
N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46763995
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 21367610
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 21367006
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide
CID 21367621
4-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 94019740
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 133186544

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 133164270) is N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is CCCCC(CC)CNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is ZSYQXRGWTABHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O4S/c1-5-7-8-18(6-2)16-23-29(26,27)19-9-10-21(28-4)20(15-19)22(25)24-13-11-17(3)12-14-24/h9-10,15,17-18,23H,5-8,11-14,16H2,1-4H3.
What are the key properties of N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 424.61 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 133164270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).