N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide

C25H28N2O5S — CID 5140341

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C25H28N2O5S/c1-4-27(5-2)33(29,30)22-15-16-24(31-3)23(17-22)26-25(28)20-11-13-21(14-12-20)32-18-19-9-7-6-8-10-19/h6-17H,4-5,18H2,1-3H3,(H,26,28)
InChIKeyMSCWNVJJSQZCSM-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.56
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide (PubChem CID 5140341) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide
PubChem CID5140341
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C25H28N2O5S/c1-4-27(5-2)33(29,30)22-15-16-24(31-3)23(17-22)26-25(28)20-11-13-21(14-12-20)32-18-19-9-7-6-8-10-19/h6-17H,4-5,18H2,1-3H3,(H,26,28)
InChIKeyMSCWNVJJSQZCSM-UHFFFAOYSA-N
XLogP4.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide (CID 5140341) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide?
The InChIKey is MSCWNVJJSQZCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-4-27(5-2)33(29,30)22-15-16-24(31-3)23(17-22)26-25(28)20-11-13-21(14-12-20)32-18-19-9-7-6-8-10-19/h6-17H,4-5,18H2,1-3H3,(H,26,28).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide has a molecular weight of 468.58 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 5140341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).