N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide

C19H25N3O3S — CID 109060082

IUPACN-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)NCCN(C)C)cc2)c1C
InChIInChI=1S/C19H25N3O3S/c1-14-6-5-7-18(15(14)2)21-26(24,25)17-10-8-16(9-11-17)19(23)20-12-13-22(3)4/h5-11,21H,12-13H2,1-4H3,(H,20,23)
InChIKeyRCNOKHMEKWISBN-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.40
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide

N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 109060082) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
PubChem CID109060082
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)NCCN(C)C)cc2)c1C
InChIInChI=1S/C19H25N3O3S/c1-14-6-5-7-18(15(14)2)21-26(24,25)17-10-8-16(9-11-17)19(23)20-12-13-22(3)4/h5-11,21H,12-13H2,1-4H3,(H,20,23)
InChIKeyRCNOKHMEKWISBN-UHFFFAOYSA-N
XLogP2.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109064098
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27040602
N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 4793513
2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium
CID 9315050
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 27032355
N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 9227034
methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 55348950
N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109060255
N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109060108
4-[(2,3-dimethylphenyl)sulfamoyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56510258
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574259

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide (CID 109060082) is N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCCN(C)C)cc2)c1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is RCNOKHMEKWISBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-6-5-7-18(15(14)2)21-26(24,25)17-10-8-16(9-11-17)19(23)20-12-13-22(3)4/h5-11,21H,12-13H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 375.49 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109060082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).