N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide

C12H16N2O4S — CID 9480838

IUPACN-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide
SMILESCN(C)C(=O)CNC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H16N2O4S/c1-14(2)11(15)8-13-12(16)9-4-6-10(7-5-9)19(3,17)18/h4-7H,8H2,1-3H3,(H,13,16)
InChIKeyXPWFNOYHPWZQDM-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.09
Rot. Bonds4

About N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide

N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide (PubChem CID 9480838) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide
PubChem CID9480838
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide
SMILESCN(C)C(=O)CNC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H16N2O4S/c1-14(2)11(15)8-13-12(16)9-4-6-10(7-5-9)19(3,17)18/h4-7H,8H2,1-3H3,(H,13,16)
InChIKeyXPWFNOYHPWZQDM-UHFFFAOYSA-N
XLogP-0.09
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfonylbenzohydrazide
CID 11042107
4-methylsulfonyl-N-prop-2-enylbenzamide
CID 9442193
N-(3-aminobutyl)-4-methylsulfonylbenzamide;hydrochloride
CID 119499324
N-(5-bromopentyl)-4-methylsulfonylbenzamide
CID 107321863
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide
CID 112705694
N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide
CID 60892970
N-[2-(dimethylamino)-2-oxoethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9481086
3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide
CID 55638128
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 43437028
3-(benzenesulfonamido)-N-[2-(dimethylamino)-2-oxoethyl]benzamide
CID 9305703
4-methylsulfonyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide
CID 9152515
2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone
CID 170896030

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide (CID 9480838) is N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide is CN(C)C(=O)CNC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide?
The InChIKey is XPWFNOYHPWZQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-14(2)11(15)8-13-12(16)9-4-6-10(7-5-9)19(3,17)18/h4-7H,8H2,1-3H3,(H,13,16).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide?
N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfonylbenzamide has a molecular weight of 284.34 g/mol, XLogP of -0.09, 4 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-methylsulfonylbenzamide is sourced from PubChem (CID 9480838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).