4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide

C24H26N2O4S — CID 21367621

IUPAC4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C24H26N2O4S/c1-17-12-14-26(15-13-17)24(27)21-16-19(10-11-23(21)30-2)31(28,29)25-22-9-5-7-18-6-3-4-8-20(18)22/h3-11,16-17,25H,12-15H2,1-2H3
InChIKeyUQRUUZFZYSPHLI-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.52
Rot. Bonds5

About 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide

4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 21367621) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID21367621
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C24H26N2O4S/c1-17-12-14-26(15-13-17)24(27)21-16-19(10-11-23(21)30-2)31(28,29)25-22-9-5-7-18-6-3-4-8-20(18)22/h3-11,16-17,25H,12-15H2,1-2H3
InChIKeyUQRUUZFZYSPHLI-UHFFFAOYSA-N
XLogP4.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 21367006
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 21367610
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
4-methoxy-N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 21368120
4-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 94019740
N-[(3-ethoxyphenyl)methyl]-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46763995
4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 17200545
4-methoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 28567240
2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28591252
2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 28591285
N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 133164270

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide (CID 21367621) is 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1C(=O)N1CCC(C)CC1.
What is the InChIKey of 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is UQRUUZFZYSPHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-17-12-14-26(15-13-17)24(27)21-16-19(10-11-23(21)30-2)31(28,29)25-22-9-5-7-18-6-3-4-8-20(18)22/h3-11,16-17,25H,12-15H2,1-2H3.
What are the key properties of 4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide?
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 438.55 g/mol, XLogP of 4.52, 5 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-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 21367621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).