4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide

C20H27N3O3S — CID 109060178

IUPAC4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1
InChIInChI=1S/C20H27N3O3S/c1-15(2)18-7-5-6-8-19(18)22-20(24)16-9-11-17(12-10-16)27(25,26)21-13-14-23(3)4/h5-12,15,21H,13-14H2,1-4H3,(H,22,24)
InChIKeyVJLSYIUEHNFUCK-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.90
Rot. Bonds8

About 4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide

4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 109060178) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
PubChem CID109060178
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1
InChIInChI=1S/C20H27N3O3S/c1-15(2)18-7-5-6-8-19(18)22-20(24)16-9-11-17(12-10-16)27(25,26)21-13-14-23(3)4/h5-12,15,21H,13-14H2,1-4H3,(H,22,24)
InChIKeyVJLSYIUEHNFUCK-UHFFFAOYSA-N
XLogP2.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 109058952
N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060186
4-[2-(dimethylamino)ethylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 109060131
2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109252945
3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 109065280
4-(3-methylbutylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 109061277
4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide
CID 126140576
N-(2-propan-2-ylphenyl)benzamide
CID 723391
3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 17225616
4-(methylsulfonylmethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 9094036
4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042975
N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060210

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide (CID 109060178) is 4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is VJLSYIUEHNFUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15(2)18-7-5-6-8-19(18)22-20(24)16-9-11-17(12-10-16)27(25,26)21-13-14-23(3)4/h5-12,15,21H,13-14H2,1-4H3,(H,22,24).
What are the key properties of 4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide?
4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 389.52 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 109060178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).