N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide

C20H25N3O4S — CID 9227034

IUPACN-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)N(C)CC(=O)N(C)C)cc2)c1C
InChIInChI=1S/C20H25N3O4S/c1-14-7-6-8-18(15(14)2)21-28(26,27)17-11-9-16(10-12-17)20(25)23(5)13-19(24)22(3)4/h6-12,21H,13H2,1-5H3
InChIKeyJVYSXPSZGJYYOL-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.26
Rot. Bonds6

About N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide

N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 9227034) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide
PubChem CID9227034
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)N(C)CC(=O)N(C)C)cc2)c1C
InChIInChI=1S/C20H25N3O4S/c1-14-7-6-8-18(15(14)2)21-28(26,27)17-11-9-16(10-12-17)20(25)23(5)13-19(24)22(3)4/h6-12,21H,13H2,1-5H3
InChIKeyJVYSXPSZGJYYOL-UHFFFAOYSA-N
XLogP2.26
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,3-dimethylphenyl)sulfamoyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56510258
N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9305406
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 9227126
N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27040602
4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503563
N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide
CID 9227038
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 16573863
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586
N-[(4-chlorophenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27773866
2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium
CID 9315050

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide (CID 9227034) is N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide is Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N(C)CC(=O)N(C)C)cc2)c1C.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is JVYSXPSZGJYYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14-7-6-8-18(15(14)2)21-28(26,27)17-11-9-16(10-12-17)20(25)23(5)13-19(24)22(3)4/h6-12,21H,13H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide?
N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 403.50 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 9227034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).