N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide

C19H18BrN3O5S — CID 25472760

IUPACN-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)on2)cc1S(=O)(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C19H18BrN3O5S/c1-11-4-6-14(20)15(8-11)23-29(25,26)18-10-13(5-7-17(18)27-3)21-19(24)16-9-12(2)28-22-16/h4-10,23H,1-3H3,(H,21,24)
InChIKeyQSKGBCPBUXDYKT-UHFFFAOYSA-N
MW480.34 g/mol
LogP4.12
Rot. Bonds6

About N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 25472760) has the molecular formula C19H18BrN3O5S and a molecular weight of 480.34 g/mol. Its IUPAC name is N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID25472760
Molecular FormulaC19H18BrN3O5S
Molecular Weight480.34 g/mol
Exact Mass479.02
IUPAC NameN-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)on2)cc1S(=O)(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C19H18BrN3O5S/c1-11-4-6-14(20)15(8-11)23-29(25,26)18-10-13(5-7-17(18)27-3)21-19(24)16-9-12(2)28-22-16/h4-10,23H,1-3H3,(H,21,24)
InChIKeyQSKGBCPBUXDYKT-UHFFFAOYSA-N
XLogP4.12
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.34
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-2,2-dimethylpropanamide
CID 25335535
N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 26176103
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
N-(5-acetamido-2-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17417372
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
2-methoxyethyl (2E)-2-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]hydrazinylidene]-2-cyanoacetate
CID 6218604
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
5-bromo-2-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17094246
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
CID 71771105
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114842
2-methoxy-5-methyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]benzenesulfonamide
CID 113023382
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 25472760) is N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2cc(C)on2)cc1S(=O)(=O)Nc1cc(C)ccc1Br.
What is the InChIKey of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QSKGBCPBUXDYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O5S/c1-11-4-6-14(20)15(8-11)23-29(25,26)18-10-13(5-7-17(18)27-3)21-19(24)16-9-12(2)28-22-16/h4-10,23H,1-3H3,(H,21,24).
What are the key properties of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 480.34 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25472760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).