N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide

C14H21N3O4S — CID 9227038

IUPACN-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H21N3O4S/c1-15(2)13(18)10-17(5)14(19)11-6-8-12(9-7-11)22(20,21)16(3)4/h6-9H,10H2,1-5H3
InChIKeyREXDUPVEMCWWGV-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.10
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide

N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide (PubChem CID 9227038) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide
PubChem CID9227038
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H21N3O4S/c1-15(2)13(18)10-17(5)14(19)11-6-8-12(9-7-11)22(20,21)16(3)4/h6-9H,10H2,1-5H3
InChIKeyREXDUPVEMCWWGV-UHFFFAOYSA-N
XLogP0.10
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9226973
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9227114
4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide
CID 60655214
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N,N-dimethylacetamide
CID 30256478
4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
CID 43215458
N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 9227034
4-(dimethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
CID 55860503
4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110733144
2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 43387793
4-(dimethylsulfamoyl)-N-ethyl-N-(2-phenylethyl)benzamide
CID 55588043
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 26635200
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide (CID 9227038) is N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide is CN(C)C(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide?
The InChIKey is REXDUPVEMCWWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-15(2)13(18)10-17(5)14(19)11-6-8-12(9-7-11)22(20,21)16(3)4/h6-9H,10H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide?
N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide has a molecular weight of 327.41 g/mol, XLogP of 0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 9227038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).