methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate

C10H9ClN2O5S2 — CID 174365754

IUPACmethyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C10H9ClN2O5S2/c1-5-7(11)8(18-12-5)13-20(15,16)10-6(3-4-19-10)9(14)17-2/h3-4,13H,1-2H3
InChIKeyQFBMIHOEGJHTIC-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.29
Rot. Bonds4

About methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate

methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate (PubChem CID 174365754) has the molecular formula C10H9ClN2O5S2 and a molecular weight of 336.78 g/mol. Its IUPAC name is methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate
PubChem CID174365754
Molecular FormulaC10H9ClN2O5S2
Molecular Weight336.78 g/mol
Exact Mass335.96
IUPAC Namemethyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C10H9ClN2O5S2/c1-5-7(11)8(18-12-5)13-20(15,16)10-6(3-4-19-10)9(14)17-2/h3-4,13H,1-2H3
InChIKeyQFBMIHOEGJHTIC-UHFFFAOYSA-N
XLogP2.29
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[2-[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophen-2-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxylate
CID 141224699
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide
CID 22998496
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide
CID 86691256
2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide
CID 70059267
methyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 10615322
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-ethyl-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 70248458
methyl 2-methylsulfonylthiophene-3-carboxylate
CID 166260160
[3-(dimethylamino)phenyl] 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 23445293
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 70060324
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide
CID 10186213
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide
CID 70248457
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide
CID 174394504

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate (CID 174365754) is methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate is COC(=O)c1ccsc1S(=O)(=O)Nc1onc(C)c1Cl.
What is the InChIKey of methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate?
The InChIKey is QFBMIHOEGJHTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O5S2/c1-5-7(11)8(18-12-5)13-20(15,16)10-6(3-4-19-10)9(14)17-2/h3-4,13H,1-2H3.
What are the key properties of methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate?
methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate has a molecular weight of 336.78 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-3-carboxylate is sourced from PubChem (CID 174365754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).