4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C15H13FN4O3S3 — CID 6503727

IUPAC4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)cs2)s1
InChIInChI=1S/C15H13FN4O3S3/c1-9-18-19-15(25-9)17-14(21)13-7-12(8-24-13)26(22,23)20(2)11-5-3-10(16)4-6-11/h3-8H,1-2H3,(H,17,19,21)
InChIKeyLNQCXPMQEGWASK-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.12
Rot. Bonds5

About 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 6503727) has the molecular formula C15H13FN4O3S3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID6503727
Molecular FormulaC15H13FN4O3S3
Molecular Weight412.49 g/mol
Exact Mass412.01
IUPAC Name4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)cs2)s1
InChIInChI=1S/C15H13FN4O3S3/c1-9-18-19-15(25-9)17-14(21)13-7-12(8-24-13)26(22,23)20(2)11-5-3-10(16)4-6-11/h3-8H,1-2H3,(H,17,19,21)
InChIKeyLNQCXPMQEGWASK-UHFFFAOYSA-N
XLogP3.12
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 6503727) is 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is Cc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)cs2)s1.
What is the InChIKey of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is LNQCXPMQEGWASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3S3/c1-9-18-19-15(25-9)17-14(21)13-7-12(8-24-13)26(22,23)20(2)11-5-3-10(16)4-6-11/h3-8H,1-2H3,(H,17,19,21).
What are the key properties of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 6503727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).