N-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide

C24H26N2O6S2 — CID 16828633

IUPACN-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC2)c2ccccc12
InChIInChI=1S/C24H26N2O6S2/c1-32-23-11-10-22(20-8-3-4-9-21(20)23)25-24(27)17-12-14-26(15-13-17)34(30,31)19-7-5-6-18(16-19)33(2,28)29/h3-11,16-17H,12-15H2,1-2H3,(H,25,27)
InChIKeyAULXDAKFHBWKDD-UHFFFAOYSA-N
MW502.61 g/mol
LogP3.29
Rot. Bonds6

About N-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide

N-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 16828633) has the molecular formula C24H26N2O6S2 and a molecular weight of 502.61 g/mol. Its IUPAC name is N-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID16828633
Molecular FormulaC24H26N2O6S2
Molecular Weight502.61 g/mol
Exact Mass502.12
IUPAC NameN-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC2)c2ccccc12
InChIInChI=1S/C24H26N2O6S2/c1-32-23-11-10-22(20-8-3-4-9-21(20)23)25-24(27)17-12-14-26(15-13-17)34(30,31)19-7-5-6-18(16-19)33(2,28)29/h3-11,16-17H,12-15H2,1-2H3,(H,25,27)
InChIKeyAULXDAKFHBWKDD-UHFFFAOYSA-N
XLogP3.29
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.61
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935229
N-(2-bromophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 126354038
N-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092875
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935221
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 126364089
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 1088323
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylpiperidine-4-carboxamide
CID 99970714
methyl 2-[[1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 16934561
N-(3-chloro-4-methoxyphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 2992364
1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide
CID 16831919
1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 26444974

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide (CID 16828633) is N-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC2)c2ccccc12.
What is the InChIKey of N-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is AULXDAKFHBWKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S2/c1-32-23-11-10-22(20-8-3-4-9-21(20)23)25-24(27)17-12-14-26(15-13-17)34(30,31)19-7-5-6-18(16-19)33(2,28)29/h3-11,16-17H,12-15H2,1-2H3,(H,25,27).
What are the key properties of N-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
N-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 502.61 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxynaphthalen-1-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16828633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).