N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide

C19H24N2O3S — CID 113069169

IUPACN-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
SMILESCCc1ccccc1N(CCNC(=O)c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-4-16-10-6-8-12-18(16)21(25(3,23)24)14-13-20-19(22)17-11-7-5-9-15(17)2/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyPDUXOBBCKMKSBS-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.75
Rot. Bonds7

About N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide

N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide (PubChem CID 113069169) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
PubChem CID113069169
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
SMILESCCc1ccccc1N(CCNC(=O)c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-4-16-10-6-8-12-18(16)21(25(3,23)24)14-13-20-19(22)17-11-7-5-9-15(17)2/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyPDUXOBBCKMKSBS-UHFFFAOYSA-N
XLogP2.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069515
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069299
2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide
CID 113069165
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113069155
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113069302
2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide
CID 113071751
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113069838
2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide
CID 113069407
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069197
3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide
CID 113071641

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide (CID 113069169) is N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide is CCc1ccccc1N(CCNC(=O)c1ccccc1C)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide?
The InChIKey is PDUXOBBCKMKSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-16-10-6-8-12-18(16)21(25(3,23)24)14-13-20-19(22)17-11-7-5-9-15(17)2/h5-12H,4,13-14H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide?
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide has a molecular weight of 360.48 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide is sourced from PubChem (CID 113069169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).