2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide

C18H22N2O3S — CID 113068533

IUPAC2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C18H22N2O3S/c1-14-8-4-6-10-16(14)18(21)19-12-13-20(24(3,22)23)17-11-7-5-9-15(17)2/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyHMNAFFPKGXRPDX-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.50
Rot. Bonds6

About 2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide

2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide (PubChem CID 113068533) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
PubChem CID113068533
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C18H22N2O3S/c1-14-8-4-6-10-16(14)18(21)19-12-13-20(24(3,22)23)17-11-7-5-9-15(17)2/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyHMNAFFPKGXRPDX-UHFFFAOYSA-N
XLogP2.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069169
3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544
2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide
CID 113071751
2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068562
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
1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068572
2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide
CID 113069407
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068580
N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113068548
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide
CID 113071641

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide (CID 113068533) is 2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide is Cc1ccccc1C(=O)NCCN(c1ccccc1C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
The InChIKey is HMNAFFPKGXRPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-8-4-6-10-16(14)18(21)19-12-13-20(24(3,22)23)17-11-7-5-9-15(17)2/h4-11H,12-13H2,1-3H3,(H,19,21).
What are the key properties of 2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide?
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide is sourced from PubChem (CID 113068533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).