N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide

C27H33N3O6S2 — CID 4152728

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C27H33N3O6S2/c1-7-30(8-2)38(34,35)21-13-14-25(36-6)24(17-21)28-27(31)22-11-9-10-12-23(22)29-37(32,33)26-19(4)15-18(3)16-20(26)5/h9-17,29H,7-8H2,1-6H3,(H,28,31)
InChIKeyFMDYXVITAMTYAG-UHFFFAOYSA-N
MW559.71 g/mol
LogP4.70
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide (PubChem CID 4152728) has the molecular formula C27H33N3O6S2 and a molecular weight of 559.71 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
PubChem CID4152728
Molecular FormulaC27H33N3O6S2
Molecular Weight559.71 g/mol
Exact Mass559.18
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C27H33N3O6S2/c1-7-30(8-2)38(34,35)21-13-14-25(36-6)24(17-21)28-27(31)22-11-9-10-12-23(22)29-37(32,33)26-19(4)15-18(3)16-20(26)5/h9-17,29H,7-8H2,1-6H3,(H,28,31)
InChIKeyFMDYXVITAMTYAG-UHFFFAOYSA-N
XLogP4.70
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.71
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dimethylbenzamide
CID 9467095
5-(diethylsulfamoyl)-N-(2-methoxyphenyl)-2-methylbenzamide
CID 2994373
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1289212
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4,5-dimethylthiophene-2-carboxamide
CID 31509802
2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378591
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 71903202
N-[5-[[5-(diethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24580932
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide (CID 4152728) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The InChIKey is FMDYXVITAMTYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O6S2/c1-7-30(8-2)38(34,35)21-13-14-25(36-6)24(17-21)28-27(31)22-11-9-10-12-23(22)29-37(32,33)26-19(4)15-18(3)16-20(26)5/h9-17,29H,7-8H2,1-6H3,(H,28,31).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide has a molecular weight of 559.71 g/mol, XLogP of 4.70, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 4152728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).