N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide

C19H19N3O4S2 — CID 50842611

IUPACN-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide
SMILESCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)Nc2cccc(C)c2)s1
InChIInChI=1S/C19H19N3O4S2/c1-12-5-4-6-15(11-12)22-28(24,25)18-10-8-16(27-18)7-9-17-19(20-14(3)23)13(2)21-26-17/h4-11,22H,1-3H3,(H,20,23)/b9-7+
InChIKeyRSLJOADEFASMDR-VQHVLOKHSA-N
MW417.51 g/mol
LogP4.28
Rot. Bonds6

About N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide

N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide (PubChem CID 50842611) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide
PubChem CID50842611
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC NameN-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide
SMILESCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)Nc2cccc(C)c2)s1
InChIInChI=1S/C19H19N3O4S2/c1-12-5-4-6-15(11-12)22-28(24,25)18-10-8-16(27-18)7-9-17-19(20-14(3)23)13(2)21-26-17/h4-11,22H,1-3H3,(H,20,23)/b9-7+
InChIKeyRSLJOADEFASMDR-VQHVLOKHSA-N
XLogP4.28
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide
CID 50842759
N-[5-[(E)-2-[5-[(2-methoxyphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 50842246
N-(3-methoxyphenyl)-5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]thiophene-2-sulfonamide
CID 22583251
5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 22583246
5-[(E)-2-[3-methyl-4-(propanoylamino)-1,2-oxazol-5-yl]ethenyl]thiophene-2-sulfonyl chloride
CID 53212031
5-[(E)-2-[4-(cyclopropanecarbonylamino)-3-methyl-1,2-oxazol-5-yl]ethenyl]thiophene-2-sulfonyl chloride
CID 53212030
N-[5-[(Z)-2-[3-[(3,4-dimethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394004
N-[3-methyl-5-[(E)-2-[5-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 50842624
N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 50842920
N-[5-[(E)-2-[5-[(4-methoxyphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50842701
N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50842648
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide (CID 50842611) is N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide is CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)Nc2cccc(C)c2)s1.
What is the InChIKey of N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide?
The InChIKey is RSLJOADEFASMDR-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-12-5-4-6-15(11-12)22-28(24,25)18-10-8-16(27-18)7-9-17-19(20-14(3)23)13(2)21-26-17/h4-11,22H,1-3H3,(H,20,23)/b9-7+.
What are the key properties of N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide?
N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 50842611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).