N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide

C21H24N2O4S — CID 56537908

IUPACN-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
SMILESC=C1CCN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CC1
InChIInChI=1S/C21H24N2O4S/c1-16-12-14-23(15-13-16)21(24)17-8-10-18(11-9-17)28(25,26)22(2)19-6-4-5-7-20(19)27-3/h4-11H,1,12-15H2,2-3H3
InChIKeyFZWKIRVQZVHELQ-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.31
Rot. Bonds5

About N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide

N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 56537908) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
PubChem CID56537908
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
SMILESC=C1CCN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CC1
InChIInChI=1S/C21H24N2O4S/c1-16-12-14-23(15-13-16)21(24)17-8-10-18(11-9-17)28(25,26)22(2)19-6-4-5-7-20(19)27-3/h4-11H,1,12-15H2,2-3H3
InChIKeyFZWKIRVQZVHELQ-UHFFFAOYSA-N
XLogP3.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670349
N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
CID 119403580
N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide
CID 56535843
N-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255421
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 43004476
N-(cyclopropylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 34821290
N-(2-methoxyphenyl)-N-methyl-4-[(2R,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide
CID 41291693
N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 16611942
(4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone
CID 10657158
(2-oxocyclohexyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 3878096
[(2S)-1-amino-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595340

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide (CID 56537908) is N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide is C=C1CCN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is FZWKIRVQZVHELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-16-12-14-23(15-13-16)21(24)17-8-10-18(11-9-17)28(25,26)22(2)19-6-4-5-7-20(19)27-3/h4-11H,1,12-15H2,2-3H3.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide?
N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 56537908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).