5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide

C21H28N2O4S — CID 38707307

IUPAC5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2cccc(C(C)C)c2)c1
InChIInChI=1S/C21H28N2O4S/c1-6-23(7-2)28(25,26)18-11-12-20(27-5)19(14-18)21(24)22-17-10-8-9-16(13-17)15(3)4/h8-15H,6-7H2,1-5H3,(H,22,24)
InChIKeyNJEGLVJOIYLPFH-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.10
Rot. Bonds8

About 5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide

5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 38707307) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide
PubChem CID38707307
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2cccc(C(C)C)c2)c1
InChIInChI=1S/C21H28N2O4S/c1-6-23(7-2)28(25,26)18-11-12-20(27-5)19(14-18)21(24)22-17-10-8-9-16(13-17)15(3)4/h8-15H,6-7H2,1-5H3,(H,22,24)
InChIKeyNJEGLVJOIYLPFH-UHFFFAOYSA-N
XLogP4.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 38859591
5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)-2-methoxybenzamide
CID 19257762
5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide
CID 26914540
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257784
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
5-(azepan-1-ylsulfonyl)-N-[4-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 28591164
3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid
CID 84613778
N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43057860

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide (CID 38707307) is 5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2cccc(C(C)C)c2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is NJEGLVJOIYLPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-6-23(7-2)28(25,26)18-11-12-20(27-5)19(14-18)21(24)22-17-10-8-9-16(13-17)15(3)4/h8-15H,6-7H2,1-5H3,(H,22,24).
What are the key properties of 5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide?
5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 404.53 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 38707307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).