[6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate

C32H34N2O6S — CID 59751421

IUPAC[6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(S(C)(=O)=O)cc3)ccc2c1
InChIInChI=1S/C32H34N2O6S/c1-33-32(35)40-27-13-17-30-24(22-27)8-16-29(23-6-14-28(15-7-23)41(2,36)37)31(30)39-26-11-9-25(10-12-26)38-21-20-34-18-4-3-5-19-34/h6-17,22H,3-5,18-21H2,1-2H3,(H,33,35)
InChIKeyAVSKSRHNBZKZGB-UHFFFAOYSA-N
MW574.70 g/mol
LogP6.29
Rot. Bonds9

About [6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate

[6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate (PubChem CID 59751421) has the molecular formula C32H34N2O6S and a molecular weight of 574.70 g/mol. Its IUPAC name is [6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate.

Molecular Properties

Compound Name[6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate
PubChem CID59751421
Molecular FormulaC32H34N2O6S
Molecular Weight574.70 g/mol
Exact Mass574.21
IUPAC Name[6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(S(C)(=O)=O)cc3)ccc2c1
InChIInChI=1S/C32H34N2O6S/c1-33-32(35)40-27-13-17-30-24(22-27)8-16-29(23-6-14-28(15-7-23)41(2,36)37)31(30)39-26-11-9-25(10-12-26)38-21-20-34-18-4-3-5-19-34/h6-17,22H,3-5,18-21H2,1-2H3,(H,33,35)
InChIKeyAVSKSRHNBZKZGB-UHFFFAOYSA-N
XLogP6.29
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.70
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68514257
butanedioic acid;6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 68516743
1-[2-[4-[2-(4-ethylsulfonylphenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68518332
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol
CID 10053779
5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylsulfonylphenyl)naphthalen-2-ol
CID 122631776
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]naphthalen-2-ol;hydrochloride
CID 68519458
6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
CID 68520285
1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 141081395
1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58691217
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-(4-sulfanylphenyl)naphthalen-2-ol
CID 70896739
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965
1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58338562

Frequently Asked Questions

What is the IUPAC name of [6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate?
The IUPAC name of [6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate (CID 59751421) is [6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate.
What is the SMILES notation for [6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate?
The canonical SMILES for [6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate is CNC(=O)Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(S(C)(=O)=O)cc3)ccc2c1.
What is the InChIKey of [6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate?
The InChIKey is AVSKSRHNBZKZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O6S/c1-33-32(35)40-27-13-17-30-24(22-27)8-16-29(23-6-14-28(15-7-23)41(2,36)37)31(30)39-26-11-9-25(10-12-26)38-21-20-34-18-4-3-5-19-34/h6-17,22H,3-5,18-21H2,1-2H3,(H,33,35).
What are the key properties of [6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate?
[6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate has a molecular weight of 574.70 g/mol, XLogP of 6.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl] N-methylcarbamate is sourced from PubChem (CID 59751421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).