N-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide

C23H24N2O5S — CID 118720898

IUPACN-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide
SMILESCN(Cc1ccc(C(O)CO)cc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H24N2O5S/c1-25(15-17-7-9-18(10-8-17)22(27)16-26)23(28)19-11-13-21(14-12-19)31(29,30)24-20-5-3-2-4-6-20/h2-14,22,24,26-27H,15-16H2,1H3
InChIKeyLJBXWGVECYNLLM-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.79
Rot. Bonds8

About N-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide

N-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide (PubChem CID 118720898) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide
PubChem CID118720898
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide
SMILESCN(Cc1ccc(C(O)CO)cc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H24N2O5S/c1-25(15-17-7-9-18(10-8-17)22(27)16-26)23(28)19-11-13-21(14-12-19)31(29,30)24-20-5-3-2-4-6-20/h2-14,22,24,26-27H,15-16H2,1H3
InChIKeyLJBXWGVECYNLLM-UHFFFAOYSA-N
XLogP2.79
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide (CID 118720898) is N-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide is CN(Cc1ccc(C(O)CO)cc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide?
The InChIKey is LJBXWGVECYNLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-25(15-17-7-9-18(10-8-17)22(27)16-26)23(28)19-11-13-21(14-12-19)31(29,30)24-20-5-3-2-4-6-20/h2-14,22,24,26-27H,15-16H2,1H3.
What are the key properties of N-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide?
N-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide has a molecular weight of 440.52 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 118720898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).