N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide

C20H26N2O3S — CID 113069299

IUPACN-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
SMILESCCc1cccc(C)c1N(CCNC(=O)c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-5-17-11-8-10-16(3)19(17)22(26(4,24)25)14-13-21-20(23)18-12-7-6-9-15(18)2/h6-12H,5,13-14H2,1-4H3,(H,21,23)
InChIKeyOLHHWISODUPTHM-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.06
Rot. Bonds7

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

N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide (PubChem CID 113069299) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
PubChem CID113069299
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
SMILESCCc1cccc(C)c1N(CCNC(=O)c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-5-17-11-8-10-16(3)19(17)22(26(4,24)25)14-13-21-20(23)18-12-7-6-9-15(18)2/h6-12H,5,13-14H2,1-4H3,(H,21,23)
InChIKeyOLHHWISODUPTHM-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069515
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
methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069326
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113069035
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
3-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142916
2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide
CID 113069407
4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113069060
2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide
CID 113069547

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide (CID 113069299) is N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide is CCc1cccc(C)c1N(CCNC(=O)c1ccccc1C)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide?
The InChIKey is OLHHWISODUPTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-17-11-8-10-16(3)19(17)22(26(4,24)25)14-13-21-20(23)18-12-7-6-9-15(18)2/h6-12H,5,13-14H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide?
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide has a molecular weight of 374.51 g/mol, XLogP of 3.06, 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-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide is sourced from PubChem (CID 113069299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).