N-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide

C17H15Cl2N3O4S2 — CID 10115469

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O4S2/c1-8-6-9(2)14(11(18)7-8)20-16(23)15-12(4-5-27-15)28(24,25)22-17-13(19)10(3)21-26-17/h4-7,22H,1-3H3,(H,20,23)
InChIKeyOWQMCIHPQRAVTL-UHFFFAOYSA-N
MW460.36 g/mol
LogP5.02
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 10115469) has the molecular formula C17H15Cl2N3O4S2 and a molecular weight of 460.36 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
PubChem CID10115469
Molecular FormulaC17H15Cl2N3O4S2
Molecular Weight460.36 g/mol
Exact Mass458.99
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O4S2/c1-8-6-9(2)14(11(18)7-8)20-16(23)15-12(4-5-27-15)28(24,25)22-17-13(19)10(3)21-26-17/h4-7,22H,1-3H3,(H,20,23)
InChIKeyOWQMCIHPQRAVTL-UHFFFAOYSA-N
XLogP5.02
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.36
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide (CID 10115469) is N-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide is Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is OWQMCIHPQRAVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O4S2/c1-8-6-9(2)14(11(18)7-8)20-16(23)15-12(4-5-27-15)28(24,25)22-17-13(19)10(3)21-26-17/h4-7,22H,1-3H3,(H,20,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 460.36 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 10115469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).