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

C19H19ClN4O5S2 — CID 10163017

IUPAC3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide
SMILESC/C(=N\O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C19H19ClN4O5S2/c1-9-7-10(2)16(13(8-9)11(3)22-26)21-18(25)17-14(5-6-30-17)31(27,28)24-19-15(20)12(4)23-29-19/h5-8,24,26H,1-4H3,(H,21,25)/b22-11+
InChIKeyLPTIMJISNYKXKZ-SSDVNMTOSA-N
MW482.97 g/mol
LogP4.57
Rot. Bonds6

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

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide (PubChem CID 10163017) has the molecular formula C19H19ClN4O5S2 and a molecular weight of 482.97 g/mol. Its IUPAC name is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-hydroxy-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-hydroxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide
PubChem CID10163017
Molecular FormulaC19H19ClN4O5S2
Molecular Weight482.97 g/mol
Exact Mass482.05
IUPAC Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide
SMILESC/C(=N\O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C19H19ClN4O5S2/c1-9-7-10(2)16(13(8-9)11(3)22-26)21-18(25)17-14(5-6-30-17)31(27,28)24-19-15(20)12(4)23-29-19/h5-8,24,26H,1-4H3,(H,21,25)/b22-11+
InChIKeyLPTIMJISNYKXKZ-SSDVNMTOSA-N
XLogP4.57
TPSA133.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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-[(E)-N-hydroxy-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-hydroxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide (CID 10163017) is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-hydroxy-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-hydroxy-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-hydroxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide is C/C(=N\O)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-hydroxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide?
The InChIKey is LPTIMJISNYKXKZ-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H19ClN4O5S2/c1-9-7-10(2)16(13(8-9)11(3)22-26)21-18(25)17-14(5-6-30-17)31(27,28)24-19-15(20)12(4)23-29-19/h5-8,24,26H,1-4H3,(H,21,25)/b22-11+.
What are the key properties of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide?
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide has a molecular weight of 482.97 g/mol, XLogP of 4.57, 6 rotatable bonds, 3 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-hydroxy-C-methylcarbonimidoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 10163017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).