N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide

C21H28N2O3S — CID 113069515

IUPACN-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
SMILESCCc1cccc(CC)c1N(CCNC(=O)c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-5-17-11-9-12-18(6-2)20(17)23(27(4,25)26)15-14-22-21(24)19-13-8-7-10-16(19)3/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)
InChIKeyXGHGTORUWSVBOX-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.32
Rot. Bonds8

About N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide

N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide (PubChem CID 113069515) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
PubChem CID113069515
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
SMILESCCc1cccc(CC)c1N(CCNC(=O)c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-5-17-11-9-12-18(6-2)20(17)23(27(4,25)26)15-14-22-21(24)19-13-8-7-10-16(19)3/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)
InChIKeyXGHGTORUWSVBOX-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069299
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113069302
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069169
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069288
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069326
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113069035
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069505
2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide
CID 113069407
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide
CID 113071641
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113143230

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide (CID 113069515) is N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide is CCc1cccc(CC)c1N(CCNC(=O)c1ccccc1C)S(C)(=O)=O.
What is the InChIKey of N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide?
The InChIKey is XGHGTORUWSVBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-17-11-9-12-18(6-2)20(17)23(27(4,25)26)15-14-22-21(24)19-13-8-7-10-16(19)3/h7-13H,5-6,14-15H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide?
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide has a molecular weight of 388.53 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide is sourced from PubChem (CID 113069515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).