methyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate

C23H24ClN3O6S — CID 155809301

IUPACmethyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)NCC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C23H24ClN3O6S/c1-31-22(28)20-23(33-21(26-20)17-5-3-2-4-6-17)34(29,30)25-15-19(27-11-13-32-14-12-27)16-7-9-18(24)10-8-16/h2-10,19,25H,11-15H2,1H3
InChIKeyGQHROMXGVFNBSV-UHFFFAOYSA-N
MW505.98 g/mol
LogP3.13
Rot. Bonds8

About methyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate

methyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 155809301) has the molecular formula C23H24ClN3O6S and a molecular weight of 505.98 g/mol. Its IUPAC name is methyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID155809301
Molecular FormulaC23H24ClN3O6S
Molecular Weight505.98 g/mol
Exact Mass505.11
IUPAC Namemethyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)NCC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C23H24ClN3O6S/c1-31-22(28)20-23(33-21(26-20)17-5-3-2-4-6-17)34(29,30)25-15-19(27-11-13-32-14-12-27)16-7-9-18(24)10-8-16/h2-10,19,25H,11-15H2,1H3
InChIKeyGQHROMXGVFNBSV-UHFFFAOYSA-N
XLogP3.13
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.98
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
CID 112503825
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide
CID 138392484
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598879
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide
CID 47023208
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 138993157
2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598948
4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 42912923
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 98404336
4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903369

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate (CID 155809301) is methyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate is COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)NCC(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of methyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is GQHROMXGVFNBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O6S/c1-31-22(28)20-23(33-21(26-20)17-5-3-2-4-6-17)34(29,30)25-15-19(27-11-13-32-14-12-27)16-7-9-18(24)10-8-16/h2-10,19,25H,11-15H2,1H3.
What are the key properties of methyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate?
methyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 505.98 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 155809301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).