N-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide

C20H21N3O6S — CID 3239202

IUPACN-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1OC
InChIInChI=1S/C20H21N3O6S/c1-12-19(13(2)29-22-12)30(25,26)23-15-7-5-14(6-8-15)20(24)21-16-9-10-17(27-3)18(11-16)28-4/h5-11,23H,1-4H3,(H,21,24)
InChIKeyXFTSPUZQZXTBIG-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.36
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide

N-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide (PubChem CID 3239202) has the molecular formula C20H21N3O6S and a molecular weight of 431.47 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide
PubChem CID3239202
Molecular FormulaC20H21N3O6S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC NameN-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1OC
InChIInChI=1S/C20H21N3O6S/c1-12-19(13(2)29-22-12)30(25,26)23-15-7-5-14(6-8-15)20(24)21-16-9-10-17(27-3)18(11-16)28-4/h5-11,23H,1-4H3,(H,21,24)
InChIKeyXFTSPUZQZXTBIG-UHFFFAOYSA-N
XLogP3.36
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide (CID 3239202) is N-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide is COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide?
The InChIKey is XFTSPUZQZXTBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6S/c1-12-19(13(2)29-22-12)30(25,26)23-15-7-5-14(6-8-15)20(24)21-16-9-10-17(27-3)18(11-16)28-4/h5-11,23H,1-4H3,(H,21,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide?
N-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide has a molecular weight of 431.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 3239202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).