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

C19H17Cl2N3O5S2 — CID 10141833

IUPACN-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
SMILESCC(=O)c1cc(C)cc(C)c1NC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C19H17Cl2N3O5S2/c1-8-5-9(2)16(12(6-8)11(4)25)22-18(26)17-13(7-14(20)30-17)31(27,28)24-19-15(21)10(3)23-29-19/h5-7,24H,1-4H3,(H,22,26)
InChIKeyFTKUVKDTRXZINE-UHFFFAOYSA-N
MW502.40 g/mol
LogP5.22
Rot. Bonds6

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

N-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 10141833) has the molecular formula C19H17Cl2N3O5S2 and a molecular weight of 502.40 g/mol. Its IUPAC name is N-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
PubChem CID10141833
Molecular FormulaC19H17Cl2N3O5S2
Molecular Weight502.40 g/mol
Exact Mass501.00
IUPAC NameN-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
SMILESCC(=O)c1cc(C)cc(C)c1NC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C19H17Cl2N3O5S2/c1-8-5-9(2)16(12(6-8)11(4)25)22-18(26)17-13(7-14(20)30-17)31(27,28)24-19-15(21)10(3)23-29-19/h5-7,24H,1-4H3,(H,22,26)
InChIKeyFTKUVKDTRXZINE-UHFFFAOYSA-N
XLogP5.22
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.40
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide (CID 10141833) is N-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide is CC(=O)c1cc(C)cc(C)c1NC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1onc(C)c1Cl.
What is the InChIKey of N-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is FTKUVKDTRXZINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O5S2/c1-8-5-9(2)16(12(6-8)11(4)25)22-18(26)17-13(7-14(20)30-17)31(27,28)24-19-15(21)10(3)23-29-19/h5-7,24H,1-4H3,(H,22,26).
What are the key properties of N-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
N-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 502.40 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 10141833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).