3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide

C19H25N3O3S — CID 109063969

IUPAC3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NCCN(C)C)c1
InChIInChI=1S/C19H25N3O3S/c1-15-7-4-5-8-17(15)14-20-19(23)16-9-6-10-18(13-16)26(24,25)21-11-12-22(2)3/h4-10,13,21H,11-12,14H2,1-3H3,(H,20,23)
InChIKeyZIYUOBMXEUFJEB-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.76
Rot. Bonds8

About 3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide

3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 109063969) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
PubChem CID109063969
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
SMILESCc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NCCN(C)C)c1
InChIInChI=1S/C19H25N3O3S/c1-15-7-4-5-8-17(15)14-20-19(23)16-9-6-10-18(13-16)26(24,25)21-11-12-22(2)3/h4-10,13,21H,11-12,14H2,1-3H3,(H,20,23)
InChIKeyZIYUOBMXEUFJEB-UHFFFAOYSA-N
XLogP1.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063719
3-[2-(dimethylamino)ethylsulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 109064018
3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109063983
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109064162
3-(furan-2-ylmethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 35612745
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064542
3-(cyclopentylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063155
N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060135
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24550323

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide (CID 109063969) is 3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide is Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NCCN(C)C)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is ZIYUOBMXEUFJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-15-7-4-5-8-17(15)14-20-19(23)16-9-6-10-18(13-16)26(24,25)21-11-12-22(2)3/h4-10,13,21H,11-12,14H2,1-3H3,(H,20,23).
What are the key properties of 3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide?
3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 375.49 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 109063969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).