N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C22H19N3O4S2 — CID 35342187

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C22H19N3O4S2/c1-25(15-16-6-3-2-4-7-16)31(27,28)18-11-9-17(10-12-18)23-22(26)19-14-20(29-24-19)21-8-5-13-30-21/h2-14H,15H2,1H3,(H,23,26)
InChIKeyKBMSDFDKGLCPIL-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.48
Rot. Bonds7

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 35342187) has the molecular formula C22H19N3O4S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID35342187
Molecular FormulaC22H19N3O4S2
Molecular Weight453.55 g/mol
Exact Mass453.08
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C22H19N3O4S2/c1-25(15-16-6-3-2-4-7-16)31(27,28)18-11-9-17(10-12-18)23-22(26)19-14-20(29-24-19)21-8-5-13-30-21/h2-14H,15H2,1H3,(H,23,26)
InChIKeyKBMSDFDKGLCPIL-UHFFFAOYSA-N
XLogP4.48
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
N-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 17011046
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
CID 26899296
4-[benzyl(methyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 5056068
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
CID 1014272
ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 17013196
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 26899300
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide
CID 23825383
N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 35342187) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is KBMSDFDKGLCPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S2/c1-25(15-16-6-3-2-4-7-16)31(27,28)18-11-9-17(10-12-18)23-22(26)19-14-20(29-24-19)21-8-5-13-30-21/h2-14H,15H2,1H3,(H,23,26).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 35342187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).