2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide

C28H23N3O5S — CID 56669534

IUPAC2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCc1cccc(C(=O)c2c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3C)ccc3cc(C#N)ccc23)c1
InChIInChI=1S/C28H23N3O5S/c1-17-4-3-5-21(12-17)28(33)27-23-9-6-19(15-29)14-20(23)7-11-25(27)36-16-26(32)31-24-10-8-22(13-18(24)2)37(30,34)35/h3-14H,16H2,1-2H3,(H,31,32)(H2,30,34,35)
InChIKeyLXZGTIJULPWVOL-UHFFFAOYSA-N
MW513.58 g/mol
LogP4.22
Rot. Bonds7

About 2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide

2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide (PubChem CID 56669534) has the molecular formula C28H23N3O5S and a molecular weight of 513.58 g/mol. Its IUPAC name is 2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
PubChem CID56669534
Molecular FormulaC28H23N3O5S
Molecular Weight513.58 g/mol
Exact Mass513.14
IUPAC Name2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCc1cccc(C(=O)c2c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3C)ccc3cc(C#N)ccc23)c1
InChIInChI=1S/C28H23N3O5S/c1-17-4-3-5-21(12-17)28(33)27-23-9-6-19(15-29)14-20(23)7-11-25(27)36-16-26(32)31-24-10-8-22(13-18(24)2)37(30,34)35/h3-14H,16H2,1-2H3,(H,31,32)(H2,30,34,35)
InChIKeyLXZGTIJULPWVOL-UHFFFAOYSA-N
XLogP4.22
TPSA139.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.58
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56676356
2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56676358
2-[4-bromo-3-(3-cyano-5-methoxyphenoxy)-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 24967452
2-(4-fluoro-2-naphthalen-1-yloxyphenoxy)-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56663137
2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 71592070
2-(2-cyanophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141494
2-[4-chloro-2-[(2,4-dimethylphenyl)-hydroxymethyl]phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56658120
N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252194
2-[4-chloro-2-(1,3-thiazole-2-carbonyl)phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 23149112
N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993139
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
N-[4-[[2-[4-chloro-2-(3-chloro-5-cyanobenzoyl)phenoxy]acetyl]amino]-3-methylphenyl]sulfonyl-2-methylpropanamide
CID 10303876

Frequently Asked Questions

What is the IUPAC name of 2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide (CID 56669534) is 2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide is Cc1cccc(C(=O)c2c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3C)ccc3cc(C#N)ccc23)c1.
What is the InChIKey of 2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The InChIKey is LXZGTIJULPWVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O5S/c1-17-4-3-5-21(12-17)28(33)27-23-9-6-19(15-29)14-20(23)7-11-25(27)36-16-26(32)31-24-10-8-22(13-18(24)2)37(30,34)35/h3-14H,16H2,1-2H3,(H,31,32)(H2,30,34,35).
What are the key properties of 2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide?
2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide has a molecular weight of 513.58 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56669534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).