5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide

C14H11ClN4O4S2 — CID 134141378

IUPAC5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
SMILESNc1onc(-c2ccc(Cl)s2)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H11ClN4O4S2/c15-10-6-5-9(24-10)12-11(13(16)23-19-12)14(20)18-7-1-3-8(4-2-7)25(17,21)22/h1-6H,16H2,(H,18,20)(H2,17,21,22)
InChIKeyFEMMLRHJJPYAGV-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.54
Rot. Bonds4

About 5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide

5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 134141378) has the molecular formula C14H11ClN4O4S2 and a molecular weight of 398.85 g/mol. Its IUPAC name is 5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID134141378
Molecular FormulaC14H11ClN4O4S2
Molecular Weight398.85 g/mol
Exact Mass397.99
IUPAC Name5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
SMILESNc1onc(-c2ccc(Cl)s2)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H11ClN4O4S2/c15-10-6-5-9(24-10)12-11(13(16)23-19-12)14(20)18-7-1-3-8(4-2-7)25(17,21)22/h1-6H,16H2,(H,18,20)(H2,17,21,22)
InChIKeyFEMMLRHJJPYAGV-UHFFFAOYSA-N
XLogP2.54
TPSA141.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide (CID 134141378) is 5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide is Nc1onc(-c2ccc(Cl)s2)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is FEMMLRHJJPYAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O4S2/c15-10-6-5-9(24-10)12-11(13(16)23-19-12)14(20)18-7-1-3-8(4-2-7)25(17,21)22/h1-6H,16H2,(H,18,20)(H2,17,21,22).
What are the key properties of 5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(5-chlorothiophen-2-yl)-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 134141378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).