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

C20H21ClN4O5S2 — CID 11752337

IUPAC3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide
SMILESCO/N=C(\C)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C20H21ClN4O5S2/c1-10-8-11(2)17(14(9-10)12(3)23-29-5)22-19(26)18-15(6-7-31-18)32(27,28)25-20-16(21)13(4)24-30-20/h6-9,25H,1-5H3,(H,22,26)/b23-12+
InChIKeyQHCDKIYWFSTMGT-FSJBWODESA-N
MW497.00 g/mol
LogP4.74
Rot. Bonds7

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

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide (PubChem CID 11752337) has the molecular formula C20H21ClN4O5S2 and a molecular weight of 497.00 g/mol. Its IUPAC name is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide
PubChem CID11752337
Molecular FormulaC20H21ClN4O5S2
Molecular Weight497.00 g/mol
Exact Mass496.06
IUPAC Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide
SMILESCO/N=C(\C)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C20H21ClN4O5S2/c1-10-8-11(2)17(14(9-10)12(3)23-29-5)22-19(26)18-15(6-7-31-18)32(27,28)25-20-16(21)13(4)24-30-20/h6-9,25H,1-5H3,(H,22,26)/b23-12+
InChIKeyQHCDKIYWFSTMGT-FSJBWODESA-N
XLogP4.74
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.00
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl)thiophene-2-carboxamide
CID 9911482
3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (3-hydroxy-2,4,6-trimethyl-phenyl)-amide
CID 9868637
N-(2-acetyl-4,6-dimethylphenyl)-3-(((4-chloro-3-methyl-5-isoxazolyl)amino)sulfonyl)-2-thiophenecarboxamide
CID 9934302
3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (2-cyano-3,4,6-trimethyl-phenyl)-amide
CID 10114414
3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (2-chloro-4,6-dimethyl-phenyl)-amide
CID 10115469
3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid [2,4-dimethyl-6-(propane-1-sulfonyl)-phenyl]-amide
CID 10119327
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide
CID 10143256
3-(((4-Chloro-3-methyl-5-isoxazolyl)amino)sulfonyl)-N-(2-isobutyryl-4,6-dimethylphenyl)-2-thiophenecarboxamide
CID 10163744
3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid [2-(2-methanesulfonyl-acetyl)-4,6-dimethyl-phenyl]-amide
CID 10165963
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[2,2-dimethylpropyl(methyl)carbamoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide
CID 10166223
3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (2-ethyl-4,6-dimethyl-phenyl)-amide
CID 10182624
3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (2-cyano-3,4,6-trimethyl-phenyl)-amide
CID 10183338

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide?
The IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide (CID 11752337) is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-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-[(E)-N-methoxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide is CO/N=C(\C)c1cc(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-[(E)-N-methoxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide?
The InChIKey is QHCDKIYWFSTMGT-FSJBWODESA-N. The full InChI is InChI=1S/C20H21ClN4O5S2/c1-10-8-11(2)17(14(9-10)12(3)23-29-5)22-19(26)18-15(6-7-31-18)32(27,28)25-20-16(21)13(4)24-30-20/h6-9,25H,1-5H3,(H,22,26)/b23-12+.
What are the key properties of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide?
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide has a molecular weight of 497.00 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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-[(E)-N-methoxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 11752337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).