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

C19H20ClN3O4S2 — CID 10182624

IUPAC3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide
SMILESCCc1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C19H20ClN3O4S2/c1-5-13-9-10(2)8-11(3)16(13)21-18(24)17-14(6-7-28-17)29(25,26)23-19-15(20)12(4)22-27-19/h6-9,23H,5H2,1-4H3,(H,21,24)
InChIKeyBEMRZVZLUSXULH-UHFFFAOYSA-N
MW453.97 g/mol
LogP4.93
Rot. Bonds6

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

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide (PubChem CID 10182624) has the molecular formula C19H20ClN3O4S2 and a molecular weight of 453.97 g/mol. Its IUPAC name is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide
PubChem CID10182624
Molecular FormulaC19H20ClN3O4S2
Molecular Weight453.97 g/mol
Exact Mass453.06
IUPAC Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide
SMILESCCc1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C19H20ClN3O4S2/c1-5-13-9-10(2)8-11(3)16(13)21-18(24)17-14(6-7-28-17)29(25,26)23-19-15(20)12(4)22-27-19/h6-9,23H,5H2,1-4H3,(H,21,24)
InChIKeyBEMRZVZLUSXULH-UHFFFAOYSA-N
XLogP4.93
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide (CID 10182624) is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide is CCc1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl.
What is the InChIKey of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide?
The InChIKey is BEMRZVZLUSXULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S2/c1-5-13-9-10(2)8-11(3)16(13)21-18(24)17-14(6-7-28-17)29(25,26)23-19-15(20)12(4)22-27-19/h6-9,23H,5H2,1-4H3,(H,21,24).
What are the key properties of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide?
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide has a molecular weight of 453.97 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10182624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).