5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide

C15H23N3O4S — CID 34040667

IUPAC5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(C)c(C(N)=O)c1
InChIInChI=1S/C15H23N3O4S/c1-5-18(6-2)14(19)10-17(4)23(21,22)12-8-7-11(3)13(9-12)15(16)20/h7-9H,5-6,10H2,1-4H3,(H2,16,20)
InChIKeyIURVUHOZWPRHLB-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.58
Rot. Bonds7

About 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide

5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide (PubChem CID 34040667) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide
PubChem CID34040667
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(C)c(C(N)=O)c1
InChIInChI=1S/C15H23N3O4S/c1-5-18(6-2)14(19)10-17(4)23(21,22)12-8-7-11(3)13(9-12)15(16)20/h7-9H,5-6,10H2,1-4H3,(H2,16,20)
InChIKeyIURVUHOZWPRHLB-UHFFFAOYSA-N
XLogP0.58
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
CID 62333140
5-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzoic acid
CID 43215455
5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 43263312
2-[(4-carbamothioyl-3-methylphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 106920031
5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide
CID 34035463
5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide
CID 115902665
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 37498559
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide
CID 64517256
5-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzoic acid
CID 60952208
2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767125
N,N-diethyl-2-[methyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]acetamide
CID 9188873

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide (CID 34040667) is 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide is CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(C)c(C(N)=O)c1.
What is the InChIKey of 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide?
The InChIKey is IURVUHOZWPRHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-5-18(6-2)14(19)10-17(4)23(21,22)12-8-7-11(3)13(9-12)15(16)20/h7-9H,5-6,10H2,1-4H3,(H2,16,20).
What are the key properties of 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide?
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide has a molecular weight of 341.43 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 34040667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).