3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide

C19H19N3O6S — CID 1010376

IUPAC3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1
InChIInChI=1S/C19H19N3O6S/c1-12-8-18(21-28-12)22-29(24,25)17-6-4-14(5-7-17)20-19(23)13-9-15(26-2)11-16(10-13)27-3/h4-11H,1-3H3,(H,20,23)(H,21,22)
InChIKeyILJYHPIKCHUKJS-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.05
Rot. Bonds7

About 3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide

3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1010376) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
PubChem CID1010376
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1
InChIInChI=1S/C19H19N3O6S/c1-12-8-18(21-28-12)22-29(24,25)17-6-4-14(5-7-17)20-19(23)13-9-15(26-2)11-16(10-13)27-3/h4-11H,1-3H3,(H,20,23)(H,21,22)
InChIKeyILJYHPIKCHUKJS-UHFFFAOYSA-N
XLogP3.05
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 2252935
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
3,5-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17311084
N-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 27229043
2,6-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1181025
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenoxybenzamide
CID 2141409
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
CID 109061637
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1189337
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 109061783
N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142676
5-bromo-2-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17094246
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1303974

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide (CID 1010376) is 3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is ILJYHPIKCHUKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c1-12-8-18(21-28-12)22-29(24,25)17-6-4-14(5-7-17)20-19(23)13-9-15(26-2)11-16(10-13)27-3/h4-11H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide?
3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 417.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1010376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).