N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C16H15N3O4S2 — CID 18272294

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C16H15N3O4S2/c17-25(21,22)12-5-3-11(4-6-12)7-8-18-16(20)13-10-14(23-19-13)15-2-1-9-24-15/h1-6,9-10H,7-8H2,(H,18,20)(H2,17,21,22)
InChIKeyODZKETFLYXWBGO-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.02
Rot. Bonds6

About N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 18272294) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID18272294
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C16H15N3O4S2/c17-25(21,22)12-5-3-11(4-6-12)7-8-18-16(20)13-10-14(23-19-13)15-2-1-9-24-15/h1-6,9-10H,7-8H2,(H,18,20)(H2,17,21,22)
InChIKeyODZKETFLYXWBGO-UHFFFAOYSA-N
XLogP2.02
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 33195789
N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305009
N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270177
N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide
CID 2271589
7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 44628153
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 60618527
N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990205
N-(2-methoxy-5-sulfamoylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 52565008
6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 43170031
N-[3-[(6-aminopyrazine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877092
N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 165352801
N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide;N-(2-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-propyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 159899323

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 18272294) is N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3cccs3)on2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is ODZKETFLYXWBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c17-25(21,22)12-5-3-11(4-6-12)7-8-18-16(20)13-10-14(23-19-13)15-2-1-9-24-15/h1-6,9-10H,7-8H2,(H,18,20)(H2,17,21,22).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 18272294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).