3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide

C17H20N2O5S — CID 1319173

IUPAC3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C17H20N2O5S/c1-19(25(4,21)22)14-7-5-6-13(11-14)18-17(20)12-8-9-15(23-2)16(10-12)24-3/h5-11H,1-4H3,(H,18,20)
InChIKeyNTACZPMTJWZPSD-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.35
Rot. Bonds6

About 3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide

3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide (PubChem CID 1319173) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
PubChem CID1319173
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C17H20N2O5S/c1-19(25(4,21)22)14-7-5-6-13(11-14)18-17(20)12-8-9-15(23-2)16(10-12)24-3/h5-11H,1-4H3,(H,18,20)
InChIKeyNTACZPMTJWZPSD-UHFFFAOYSA-N
XLogP2.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide (CID 1319173) is 3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The InChIKey is NTACZPMTJWZPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-19(25(4,21)22)14-7-5-6-13(11-14)18-17(20)12-8-9-15(23-2)16(10-12)24-3/h5-11H,1-4H3,(H,18,20).
What are the key properties of 3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide has a molecular weight of 364.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide is sourced from PubChem (CID 1319173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).