N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide

C17H18N2O5S — CID 1085636

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1)S(C)(=O)=O
InChIInChI=1S/C17H18N2O5S/c1-19(25(2,21)22)14-6-3-12(4-7-14)17(20)18-13-5-8-15-16(11-13)24-10-9-23-15/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyHEOQNIRSITXMDB-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.11
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 1085636) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID1085636
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1)S(C)(=O)=O
InChIInChI=1S/C17H18N2O5S/c1-19(25(2,21)22)14-6-3-12(4-7-14)17(20)18-13-5-8-15-16(11-13)24-10-9-23-15/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyHEOQNIRSITXMDB-UHFFFAOYSA-N
XLogP2.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-1-propanone
CID 766936
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl acetate
CID 3155160
CeMMEC13
CID 110694558
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-piperidinylsulfonyl)benzamide
CID 1262699
N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 730782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide
CID 732529
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide
CID 754510
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide
CID 759615
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxybenzamide
CID 786352

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide (CID 1085636) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide is CN(c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is HEOQNIRSITXMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-19(25(2,21)22)14-6-3-12(4-7-14)17(20)18-13-5-8-15-16(11-13)24-10-9-23-15/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 362.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 1085636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).