3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide

C16H15N3O4S2 — CID 23445445

IUPAC3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C16H15N3O4S2/c1-10-11(2)18-23-16(10)19-25(21,22)13-8-9-24-14(13)15(20)17-12-6-4-3-5-7-12/h3-9,19H,1-2H3,(H,17,20)
InChIKeyKUIYVKNCDZSGKO-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.41
Rot. Bonds5

About 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide

3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide (PubChem CID 23445445) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide
PubChem CID23445445
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Name3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C16H15N3O4S2/c1-10-11(2)18-23-16(10)19-25(21,22)13-8-9-24-14(13)15(20)17-12-6-4-3-5-7-12/h3-9,19H,1-2H3,(H,17,20)
InChIKeyKUIYVKNCDZSGKO-UHFFFAOYSA-N
XLogP3.41
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide?
The IUPAC name of 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide (CID 23445445) is 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide is Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccccc2)c1C.
What is the InChIKey of 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide?
The InChIKey is KUIYVKNCDZSGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-10-11(2)18-23-16(10)19-25(21,22)13-8-9-24-14(13)15(20)17-12-6-4-3-5-7-12/h3-9,19H,1-2H3,(H,17,20).
What are the key properties of 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide?
3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 23445445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).