3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide

C19H24N2O3S — CID 113068544

IUPAC3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCN(c2ccccc2C)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H24N2O3S/c1-14-9-10-17(13-16(14)3)19(22)20-11-12-21(25(4,23)24)18-8-6-5-7-15(18)2/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyFCJAEKKKTXUSDK-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.81
Rot. Bonds6

About 3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide

3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide (PubChem CID 113068544) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
PubChem CID113068544
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCN(c2ccccc2C)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H24N2O3S/c1-14-9-10-17(13-16(14)3)19(22)20-11-12-21(25(4,23)24)18-8-6-5-7-15(18)2/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyFCJAEKKKTXUSDK-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
CID 113069362
N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113070047
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113068983
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3,4-dimethylbenzamide
CID 113071294
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069814
1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068572
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066246
2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068562
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069169

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide (CID 113068544) is 3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide is Cc1ccc(C(=O)NCCN(c2ccccc2C)S(C)(=O)=O)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
The InChIKey is FCJAEKKKTXUSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-9-10-17(13-16(14)3)19(22)20-11-12-21(25(4,23)24)18-8-6-5-7-15(18)2/h5-10,13H,11-12H2,1-4H3,(H,20,22).
What are the key properties of 3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide is sourced from PubChem (CID 113068544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).