4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide

C24H30N2O4S — CID 125043094

IUPAC4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H30N2O4S/c1-4-15-26(31(28,29)23-13-11-22(30-3)12-14-23)18-20-7-9-21(10-8-20)24(27)25-16-5-6-19(2)17-25/h4,7-14,19H,1,5-6,15-18H2,2-3H3/t19-/m0/s1
InChIKeyIKZGWLOBPQMJHB-IBGZPJMESA-N
MW442.58 g/mol
LogP3.94
Rot. Bonds8

About 4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide

4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide (PubChem CID 125043094) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is 4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
PubChem CID125043094
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC Name4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H30N2O4S/c1-4-15-26(31(28,29)23-13-11-22(30-3)12-14-23)18-20-7-9-21(10-8-20)24(27)25-16-5-6-19(2)17-25/h4,7-14,19H,1,5-6,15-18H2,2-3H3/t19-/m0/s1
InChIKeyIKZGWLOBPQMJHB-IBGZPJMESA-N
XLogP3.94
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 125043116
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide
CID 109061524
N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 3370801
tert-butyl 3-[(4-methoxyphenyl)sulfonyl-[[4-(morpholine-4-carbonyl)phenyl]methyl]amino]piperidine-1-carboxylate
CID 58589385
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876397
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 7377138
N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 132673892
methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate
CID 58718475
4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119377266

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide (CID 125043094) is 4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide is C=CCN(Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide?
The InChIKey is IKZGWLOBPQMJHB-IBGZPJMESA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-4-15-26(31(28,29)23-13-11-22(30-3)12-14-23)18-20-7-9-21(10-8-20)24(27)25-16-5-6-19(2)17-25/h4,7-14,19H,1,5-6,15-18H2,2-3H3/t19-/m0/s1.
What are the key properties of 4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide?
4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 442.58 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 125043094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).