4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide

C18H17N3O5S — CID 1294300

IUPAC4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cc(C)on1
InChIInChI=1S/C18H17N3O5S/c1-12-10-17(20-26-12)21-27(23,24)16-11-13(8-9-15(16)25-2)18(22)19-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyIKLSOEPTALVFOD-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.04
Rot. Bonds6

About 4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide

4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide (PubChem CID 1294300) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is 4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
PubChem CID1294300
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cc(C)on1
InChIInChI=1S/C18H17N3O5S/c1-12-10-17(20-26-12)21-27(23,24)16-11-13(8-9-15(16)25-2)18(22)19-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyIKLSOEPTALVFOD-UHFFFAOYSA-N
XLogP3.04
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-{3-[3-(4-Methoxy-phenyl)-acryloyl]-thioureido}-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide
CID 5752025
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-3,4-dimethoxy-benzamide
CID 648989
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-4-methoxy-benzamide
CID 655804
N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)-3-methoxybenzamide
CID 978533
3,4,5-Trimethoxy-N-[4-(5-methyl-isoxazol-3-ylsulfamoyl)-phenyl]-benzamide
CID 645962
N-[4-(5-Methyl-isoxazol-3-ylsulfamoyl)-phenyl]-4-p-tolyloxy-butyramide
CID 652041
2-methoxy-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)benzamide
CID 1093076
2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide
CID 1154224
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-4-(propan-2-yloxy)benzamide
CID 1157527
N-{4-[({[3-(4-methoxyphenyl)-5-isoxazolyl]methyl}amino)sulfonyl]phenyl}acetamide
CID 1484365
N-[4-(5-Methyl-isoxazol-3-ylsulfamoyl)-phenyl]-4-o-tolyloxy-butyramide
CID 1637937
(2E)-3-(2-methoxyphenyl)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}prop-2-enamide
CID 1658938

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide?
The IUPAC name of 4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide (CID 1294300) is 4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide.
What is the SMILES notation for 4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide?
The canonical SMILES for 4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide is COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cc(C)on1.
What is the InChIKey of 4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide?
The InChIKey is IKLSOEPTALVFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-12-10-17(20-26-12)21-27(23,24)16-11-13(8-9-15(16)25-2)18(22)19-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide?
4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide has a molecular weight of 387.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide is sourced from PubChem (CID 1294300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).