4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide

C23H30N2O4S — CID 99958491

IUPAC4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-4-21(18-8-6-5-7-9-18)24-30(27,28)19-10-11-22(29-3)20(16-19)23(26)25-14-12-17(2)13-15-25/h5-11,16-17,21,24H,4,12-15H2,1-3H3/t21-/m1/s1
InChIKeyMCDMWFRAHBKAOR-OAQYLSRUSA-N
MW430.57 g/mol
LogP4.00
Rot. Bonds7

About 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide

4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide (PubChem CID 99958491) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide
PubChem CID99958491
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-4-21(18-8-6-5-7-9-18)24-30(27,28)19-10-11-22(29-3)20(16-19)23(26)25-14-12-17(2)13-15-25/h5-11,16-17,21,24H,4,12-15H2,1-3H3/t21-/m1/s1
InChIKeyMCDMWFRAHBKAOR-OAQYLSRUSA-N
XLogP4.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide with MolForge

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Related Compounds

4-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 94019740
4-methoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 28567240
4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 100566892
4-methoxy-N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 21368120
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide
CID 21367621
N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 133164270
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 21367610
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 133186544
3-(azepane-1-carbonyl)-4-methoxy-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43885368
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 21367006
N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46763995
4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17200530

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide (CID 99958491) is 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide is CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1)c1ccccc1.
What is the InChIKey of 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide?
The InChIKey is MCDMWFRAHBKAOR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-4-21(18-8-6-5-7-9-18)24-30(27,28)19-10-11-22(29-3)20(16-19)23(26)25-14-12-17(2)13-15-25/h5-11,16-17,21,24H,4,12-15H2,1-3H3/t21-/m1/s1.
What are the key properties of 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide?
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide has a molecular weight of 430.57 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-[(1R)-1-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 99958491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).