4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide

C12H15N3O4S2 — CID 6503212

IUPAC4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccon2)c1
InChIInChI=1S/C12H15N3O4S2/c1-3-15(4-2)21(17,18)9-7-10(20-8-9)12(16)13-11-5-6-19-14-11/h5-8H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyCJJQTTYVTZHPJG-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.02
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide

4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide (PubChem CID 6503212) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
PubChem CID6503212
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Name4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccon2)c1
InChIInChI=1S/C12H15N3O4S2/c1-3-15(4-2)21(17,18)9-7-10(20-8-9)12(16)13-11-5-6-19-14-11/h5-8H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyCJJQTTYVTZHPJG-UHFFFAOYSA-N
XLogP2.02
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-Methyl-3-isoxazolyl)-2-thiophenecarboxamide
CID 670281
5-bromo-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 1246154
N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide
CID 53498579
N-3-isoxazolyl-5-methyl-3-thiophenecarboxamide
CID 1246798
N-3-isoxazolyl-2-(2-thienyl)acetamide
CID 1246102
N1-(isoxazol-3-yl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 18588599
N1-(isoxazol-3-yl)-N2-(1-(thiophen-2-yl)propan-2-yl)oxalamide
CID 45555184
N-3-isoxazolyl-4-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxamide
CID 6503321
4-[(ethylamino)sulfonyl]-N-(5-methyl-3-isoxazolyl)-2-thiophenecarboxamide
CID 6504157
5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 17217292
5-ethyl-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide
CID 17217747
N-(1,2-oxazol-3-yl)-5-(propan-2-yl)thiophene-3-carboxamide
CID 17217749

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide (CID 6503212) is 4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccon2)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide?
The InChIKey is CJJQTTYVTZHPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-3-15(4-2)21(17,18)9-7-10(20-8-9)12(16)13-11-5-6-19-14-11/h5-8H,3-4H2,1-2H3,(H,13,14,16).
What are the key properties of 4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide?
4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 6503212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).