3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide

C23H26N2O5S — CID 46585419

IUPAC3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3ccc(OC)c(S(=O)(=O)N(C)C)c3)ccc2c1
InChIInChI=1S/C23H26N2O5S/c1-24(2)31(27,28)22-14-19(9-11-21(22)30-5)23(26)25(3)15-16-6-7-18-13-20(29-4)10-8-17(18)12-16/h6-14H,15H2,1-5H3
InChIKeyQSKIHRZGKYCQMY-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.38
Rot. Bonds7

About 3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide

3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide (PubChem CID 46585419) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
PubChem CID46585419
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3ccc(OC)c(S(=O)(=O)N(C)C)c3)ccc2c1
InChIInChI=1S/C23H26N2O5S/c1-24(2)31(27,28)22-14-19(9-11-21(22)30-5)23(26)25(3)15-16-6-7-18-13-20(29-4)10-8-17(18)12-16/h6-14H,15H2,1-5H3
InChIKeyQSKIHRZGKYCQMY-UHFFFAOYSA-N
XLogP3.38
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 43012781
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 8529251
3-(methanesulfonamido)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18117006
3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 31986975
N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide
CID 52793193
N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
CID 9482656
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 38038012
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide
CID 9482800
3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 24513203
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
(3-methoxyphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 55331142
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 26444427

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide (CID 46585419) is 3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide is COc1ccc2cc(CN(C)C(=O)c3ccc(OC)c(S(=O)(=O)N(C)C)c3)ccc2c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide?
The InChIKey is QSKIHRZGKYCQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-24(2)31(27,28)22-14-19(9-11-21(22)30-5)23(26)25(3)15-16-6-7-18-13-20(29-4)10-8-17(18)12-16/h6-14H,15H2,1-5H3.
What are the key properties of 3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide?
3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide has a molecular weight of 442.54 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 46585419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).