N-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide

C21H20ClN3O5S — CID 46394080

IUPACN-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O5S/c1-13-21(23-14(2)26)19(30-24-13)11-5-15-4-10-18(29-3)20(12-15)31(27,28)25-17-8-6-16(22)7-9-17/h4-12,25H,1-3H3,(H,23,26)/b11-5-
InChIKeyBMJADYPMICWNPB-WZUFQYTHSA-N
MW461.93 g/mol
LogP4.57
Rot. Bonds7

About N-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide

N-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (PubChem CID 46394080) has the molecular formula C21H20ClN3O5S and a molecular weight of 461.93 g/mol. Its IUPAC name is N-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
PubChem CID46394080
Molecular FormulaC21H20ClN3O5S
Molecular Weight461.93 g/mol
Exact Mass461.08
IUPAC NameN-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O5S/c1-13-21(23-14(2)26)19(30-24-13)11-5-15-4-10-18(29-3)20(12-15)31(27,28)25-17-8-6-16(22)7-9-17/h4-12,25H,1-3H3,(H,23,26)/b11-5-
InChIKeyBMJADYPMICWNPB-WZUFQYTHSA-N
XLogP4.57
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.93
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-methoxyanilino]acetamide
CID 16007558
N-[(2-Chlorophenyl)methyl]-2-[N-(4-ethoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide
CID 20858898
N-[(2-Chlorophenyl)methyl]-2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide
CID 20858851
N-(3-Chlorophenyl)-1-({5-[(1Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-YL}sulfonyl)piperidine-4-carboxamide
CID 16007593
N~4~-(4-chlorophenyl)-1-({5-[(Z)-2-(4-methoxyphenyl)-1-ethenyl]-3-methyl-4-isoxazolyl}sulfonyl)-4-piperidinecarboxamide
CID 16007595
N-[(4-chlorophenyl)methyl]-2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide
CID 20858896
N-[(4-Chlorophenyl)methyl]-2-[N-(4-ethoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide
CID 16007615
N-{5-[(1Z)-2-[3-(Cyclooctylsulfamoyl)-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-YL}acetamide
CID 46394086
N-{5-[(1Z)-2-{4-Methoxy-3-[methyl(4-methylphenyl)sulfamoyl]phenyl}ethenyl]-3-methyl-1,2-oxazol-4-YL}acetamide
CID 46394147
N-{5-[(1Z)-2-(4-{[(3-Methoxyphenyl)methyl]sulfamoyl}phenyl)ethenyl]-3-methyl-1,2-oxazol-4-YL}propanamide
CID 50839021
N-(3,4-Difluorophenyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-YL)-6-oxo-1,6-dihydropyridazin-3-YL]-2-methoxybenzene-1-sulfonamide
CID 53080801
N-(4-{3-[(2-Chlorophenyl)sulfamoyl]-4-methoxyphenyl}-3-methyl-1,2-oxazol-5-YL)acetamide
CID 53133158

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (CID 46394080) is N-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The InChIKey is BMJADYPMICWNPB-WZUFQYTHSA-N. The full InChI is InChI=1S/C21H20ClN3O5S/c1-13-21(23-14(2)26)19(30-24-13)11-5-15-4-10-18(29-3)20(12-15)31(27,28)25-17-8-6-16(22)7-9-17/h4-12,25H,1-3H3,(H,23,26)/b11-5-.
What are the key properties of N-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
N-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide has a molecular weight of 461.93 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 46394080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).