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

C32H30N6O8S4 — CID 70059267

IUPAC2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide
SMILESCc1noc(NS(=O)(=O)c2sccc2C(=O)Nc2ccccc2)c1C.Cc1noc(NS(=O)(=O)c2sccc2C(=O)Nc2ccccc2)c1C
InChIInChI=1S/2C16H15N3O4S2/c2*1-10-11(2)18-23-15(10)19-25(21,22)16-13(8-9-24-16)14(20)17-12-6-4-3-5-7-12/h2*3-9,19H,1-2H3,(H,17,20)
InChIKeyLFLJNUWAZKQBEZ-UHFFFAOYSA-N
MW754.89 g/mol
LogP6.81
Rot. Bonds10

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

2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide (PubChem CID 70059267) has the molecular formula C32H30N6O8S4 and a molecular weight of 754.89 g/mol. Its IUPAC name is 2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide
PubChem CID70059267
Molecular FormulaC32H30N6O8S4
Molecular Weight754.89 g/mol
Exact Mass754.10
IUPAC Name2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide
SMILESCc1noc(NS(=O)(=O)c2sccc2C(=O)Nc2ccccc2)c1C.Cc1noc(NS(=O)(=O)c2sccc2C(=O)Nc2ccccc2)c1C
InChIInChI=1S/2C16H15N3O4S2/c2*1-10-11(2)18-23-15(10)19-25(21,22)16-13(8-9-24-16)14(20)17-12-6-4-3-5-7-12/h2*3-9,19H,1-2H3,(H,17,20)
InChIKeyLFLJNUWAZKQBEZ-UHFFFAOYSA-N
XLogP6.81
TPSA202.60 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500754.89
LogP ≤ 56.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 1107623
2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4119855
methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate
CID 174365754
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 5046522
4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid
CID 70315718
methyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 10615322
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,6-dimethylpyridine-2-carboxamide
CID 19224388
4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
CID 118710641
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 659894
3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
CID 1184444
N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide
CID 22998450
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 108789607

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide (CID 70059267) is 2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide is Cc1noc(NS(=O)(=O)c2sccc2C(=O)Nc2ccccc2)c1C.Cc1noc(NS(=O)(=O)c2sccc2C(=O)Nc2ccccc2)c1C.
What is the InChIKey of 2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide?
The InChIKey is LFLJNUWAZKQBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H15N3O4S2/c2*1-10-11(2)18-23-15(10)19-25(21,22)16-13(8-9-24-16)14(20)17-12-6-4-3-5-7-12/h2*3-9,19H,1-2H3,(H,17,20).
What are the key properties of 2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide?
2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide has a molecular weight of 754.89 g/mol, XLogP of 6.81, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide is sourced from PubChem (CID 70059267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).