N-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide

C30H24N2O5S — CID 25073557

IUPACN-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3c(O)ccc4cc(-c5cccc(O)c5)ccc34)c2)cc1
InChIInChI=1S/C30H24N2O5S/c1-19(33)31-24-10-12-27(13-11-24)38(36,37)32-25-6-2-5-23(17-25)30-28-14-8-21(16-22(28)9-15-29(30)35)20-4-3-7-26(34)18-20/h2-18,32,34-35H,1H3,(H,31,33)
InChIKeyAJKBVOKBNKWIQX-UHFFFAOYSA-N
MW524.60 g/mol
LogP6.34
Rot. Bonds6

About N-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 25073557) has the molecular formula C30H24N2O5S and a molecular weight of 524.60 g/mol. Its IUPAC name is N-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID25073557
Molecular FormulaC30H24N2O5S
Molecular Weight524.60 g/mol
Exact Mass524.14
IUPAC NameN-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3c(O)ccc4cc(-c5cccc(O)c5)ccc34)c2)cc1
InChIInChI=1S/C30H24N2O5S/c1-19(33)31-24-10-12-27(13-11-24)38(36,37)32-25-6-2-5-23(17-25)30-28-14-8-21(16-22(28)9-15-29(30)35)20-4-3-7-26(34)18-20/h2-18,32,34-35H,1H3,(H,31,33)
InChIKeyAJKBVOKBNKWIQX-UHFFFAOYSA-N
XLogP6.34
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.60
LogP ≤ 56.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide (CID 25073557) is N-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3c(O)ccc4cc(-c5cccc(O)c5)ccc34)c2)cc1.
What is the InChIKey of N-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is AJKBVOKBNKWIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O5S/c1-19(33)31-24-10-12-27(13-11-24)38(36,37)32-25-6-2-5-23(17-25)30-28-14-8-21(16-22(28)9-15-29(30)35)20-4-3-7-26(34)18-20/h2-18,32,34-35H,1H3,(H,31,33).
What are the key properties of N-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 524.60 g/mol, XLogP of 6.34, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 25073557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).