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

C17H17N3O4S3 — CID 50842759

IUPACN-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide
SMILESCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCc2cccs2)s1
InChIInChI=1S/C17H17N3O4S3/c1-11-17(19-12(2)21)15(24-20-11)7-5-13-6-8-16(26-13)27(22,23)18-10-14-4-3-9-25-14/h3-9,18H,10H2,1-2H3,(H,19,21)/b7-5+
InChIKeyNVJUYFGEWVGPJW-FNORWQNLSA-N
MW423.54 g/mol
LogP3.71
Rot. Bonds7

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

N-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide (PubChem CID 50842759) has the molecular formula C17H17N3O4S3 and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide
PubChem CID50842759
Molecular FormulaC17H17N3O4S3
Molecular Weight423.54 g/mol
Exact Mass423.04
IUPAC NameN-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide
SMILESCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCc2cccs2)s1
InChIInChI=1S/C17H17N3O4S3/c1-11-17(19-12(2)21)15(24-20-11)7-5-13-6-8-16(26-13)27(22,23)18-10-14-4-3-9-25-14/h3-9,18H,10H2,1-2H3,(H,19,21)/b7-5+
InChIKeyNVJUYFGEWVGPJW-FNORWQNLSA-N
XLogP3.71
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide
CID 50842611
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
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-[4-(benzylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394574
N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50842648
ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950077
N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110779516
N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide
CID 39792806
N-[5-[(Z)-2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394527

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide (CID 50842759) is N-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide is CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCc2cccs2)s1.
What is the InChIKey of N-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide?
The InChIKey is NVJUYFGEWVGPJW-FNORWQNLSA-N. The full InChI is InChI=1S/C17H17N3O4S3/c1-11-17(19-12(2)21)15(24-20-11)7-5-13-6-8-16(26-13)27(22,23)18-10-14-4-3-9-25-14/h3-9,18H,10H2,1-2H3,(H,19,21)/b7-5+.
What are the key properties of N-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide?
N-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide has a molecular weight of 423.54 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 50842759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).