4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide

C33H36N2O6S — CID 59804103

IUPAC4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OC)c(-c2ccc3cc(OC)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)c1
InChIInChI=1S/C33H36N2O6S/c1-34-42(37,38)27-13-16-31(40-3)30(22-27)29-14-9-24-21-26(39-2)12-15-28(24)32(29)33(36)23-7-10-25(11-8-23)41-20-19-35-17-5-4-6-18-35/h7-16,21-22,34H,4-6,17-20H2,1-3H3
InChIKeyIARIJIRCPKYJBM-UHFFFAOYSA-N
MW588.73 g/mol
LogP5.53
Rot. Bonds11

About 4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide

4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide (PubChem CID 59804103) has the molecular formula C33H36N2O6S and a molecular weight of 588.73 g/mol. Its IUPAC name is 4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide
PubChem CID59804103
Molecular FormulaC33H36N2O6S
Molecular Weight588.73 g/mol
Exact Mass588.23
IUPAC Name4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OC)c(-c2ccc3cc(OC)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)c1
InChIInChI=1S/C33H36N2O6S/c1-34-42(37,38)27-13-16-31(40-3)30(22-27)29-14-9-24-21-26(39-2)12-15-28(24)32(29)33(36)23-7-10-25(11-8-23)41-20-19-35-17-5-4-6-18-35/h7-16,21-22,34H,4-6,17-20H2,1-3H3
InChIKeyIARIJIRCPKYJBM-UHFFFAOYSA-N
XLogP5.53
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.73
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362215
2-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]benzoic acid
CID 58877996
[6-hydroxy-2-(2,3,5-trifluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 11237470
1-[2-[4-[1-[2-(2,4-difluorophenyl)-6-methoxynaphthalen-1-yl]ethenyl]phenoxy]ethyl]piperidine
CID 143085015
1-[2-[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68514257
[6-(3-butylsulfonyloxyphenyl)-5-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl] butane-1-sulfonate
CID 19362226
[4-[2-(azepan-1-yl)ethoxy]phenyl]-[2-(2,4-difluorophenyl)-6-hydroxynaphthalen-1-yl]methanone;hydrochloride
CID 67005075
1-[2-[4-[2-(4-ethylsulfonylphenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68518332
[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 10207050
[2-(2-ethyl-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19600498
[2-(3,4-dihydroxyphenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362234
[2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 123788766

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide (CID 59804103) is 4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(OC)c(-c2ccc3cc(OC)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)c1.
What is the InChIKey of 4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide?
The InChIKey is IARIJIRCPKYJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O6S/c1-34-42(37,38)27-13-16-31(40-3)30(22-27)29-14-9-24-21-26(39-2)12-15-28(24)32(29)33(36)23-7-10-25(11-8-23)41-20-19-35-17-5-4-6-18-35/h7-16,21-22,34H,4-6,17-20H2,1-3H3.
What are the key properties of 4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide?
4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide has a molecular weight of 588.73 g/mol, XLogP of 5.53, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 59804103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).