3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

C22H28N2O4S — CID 55654984

IUPAC3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCCC1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)C1
InChIInChI=1S/C22H28N2O4S/c1-4-17-6-5-13-24(15-17)22(25)21-14-20(12-7-16(21)2)29(26,27)23-18-8-10-19(28-3)11-9-18/h7-12,14,17,23H,4-6,13,15H2,1-3H3
InChIKeyPSFKPSKAZHOZOY-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.07
Rot. Bonds6

About 3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 55654984) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID55654984
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCCC1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)C1
InChIInChI=1S/C22H28N2O4S/c1-4-17-6-5-13-24(15-17)22(25)21-14-20(12-7-16(21)2)29(26,27)23-18-8-10-19(28-3)11-9-18/h7-12,14,17,23H,4-6,13,15H2,1-3H3
InChIKeyPSFKPSKAZHOZOY-UHFFFAOYSA-N
XLogP4.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55843878
3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 55347584
N-(4-ethoxyphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670419
3-[4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 25350794
3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 55654720
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43017866
N-(2-methoxyethyl)-4-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119394953
N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55349268
N-ethyl-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-4-methylbenzenesulfonamide
CID 55955544
N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 66580313
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (CID 55654984) is 3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is CCC1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)C1.
What is the InChIKey of 3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is PSFKPSKAZHOZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-4-17-6-5-13-24(15-17)22(25)21-14-20(12-7-16(21)2)29(26,27)23-18-8-10-19(28-3)11-9-18/h7-12,14,17,23H,4-6,13,15H2,1-3H3.
What are the key properties of 3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 416.54 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 55654984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).