N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide

C18H20N2O5S — CID 113071641

IUPACN-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C18H20N2O5S/c1-13-5-3-4-6-15(13)18(21)19-9-10-20(26(2,22)23)14-7-8-16-17(11-14)25-12-24-16/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyAHRWCLAVVJPLEG-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.92
Rot. Bonds6

About N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide

N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide (PubChem CID 113071641) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide
PubChem CID113071641
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C18H20N2O5S/c1-13-5-3-4-6-15(13)18(21)19-9-10-20(26(2,22)23)14-7-8-16-17(11-14)25-12-24-16/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyAHRWCLAVVJPLEG-UHFFFAOYSA-N
XLogP1.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-methylbenzamide
CID 113062948
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide
CID 113071629
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113071662
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113071655
2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide
CID 113069407
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide
CID 113063038
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069515
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069169
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113068867
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069299
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113068977

Frequently Asked Questions

What is the IUPAC name of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide (CID 113071641) is N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O.
What is the InChIKey of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide?
The InChIKey is AHRWCLAVVJPLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-13-5-3-4-6-15(13)18(21)19-9-10-20(26(2,22)23)14-7-8-16-17(11-14)25-12-24-16/h3-8,11H,9-10,12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide?
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide has a molecular weight of 376.43 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide is sourced from PubChem (CID 113071641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).