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

C17H17N3O4S2 — CID 10548486

IUPAC3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C17H17N3O4S2/c1-10-4-6-13(7-5-10)18-16(21)15-14(8-9-25-15)26(22,23)20-17-11(2)12(3)19-24-17/h4-9,20H,1-3H3,(H,18,21)
InChIKeyIIMOFYDNSGNNBK-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.71
Rot. Bonds5

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

3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 10548486) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID10548486
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC Name3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C17H17N3O4S2/c1-10-4-6-13(7-5-10)18-16(21)15-14(8-9-25-15)26(22,23)20-17-11(2)12(3)19-24-17/h4-9,20H,1-3H3,(H,18,21)
InChIKeyIIMOFYDNSGNNBK-UHFFFAOYSA-N
XLogP3.71
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.71
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-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methylphenyl)thiophene-2-carboxamide (CID 10548486) is 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)cc1.
What is the InChIKey of 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is IIMOFYDNSGNNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-10-4-6-13(7-5-10)18-16(21)15-14(8-9-25-15)26(22,23)20-17-11(2)12(3)19-24-17/h4-9,20H,1-3H3,(H,18,21).
What are the key properties of 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methylphenyl)thiophene-2-carboxamide?
3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.71, 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-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10548486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).