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

C22H23N3O4S2 — CID 50842624

IUPACN-[3-methyl-5-[(E)-2-[5-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccc(/C=C/c2onc(C)c2NC(=O)C2CC2)s1
InChIInChI=1S/C22H23N3O4S2/c1-14-5-3-4-6-17(14)13-23-31(27,28)20-12-10-18(30-20)9-11-19-21(15(2)25-29-19)24-22(26)16-7-8-16/h3-6,9-12,16,23H,7-8,13H2,1-2H3,(H,24,26)/b11-9+
InChIKeyJCHZDJJTRCXHON-PKNBQFBNSA-N
MW457.58 g/mol
LogP4.35
Rot. Bonds8

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

N-[3-methyl-5-[(E)-2-[5-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide (PubChem CID 50842624) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[3-methyl-5-[(E)-2-[5-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-methyl-5-[(E)-2-[5-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
PubChem CID50842624
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC NameN-[3-methyl-5-[(E)-2-[5-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccc(/C=C/c2onc(C)c2NC(=O)C2CC2)s1
InChIInChI=1S/C22H23N3O4S2/c1-14-5-3-4-6-17(14)13-23-31(27,28)20-12-10-18(30-20)9-11-19-21(15(2)25-29-19)24-22(26)16-7-8-16/h3-6,9-12,16,23H,7-8,13H2,1-2H3,(H,24,26)/b11-9+
InChIKeyJCHZDJJTRCXHON-PKNBQFBNSA-N
XLogP4.35
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50842885
5-[(E)-2-[4-(cyclopropanecarbonylamino)-3-methyl-1,2-oxazol-5-yl]ethenyl]thiophene-2-sulfonyl chloride
CID 53212030
N-[5-[(E)-2-[5-[(2-methoxyphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 50842246
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-[(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
N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394651
N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50842648
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-[(Z)-2-[4-(2-phenylpropylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394661
N-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394643

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-[(E)-2-[5-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-methyl-5-[(E)-2-[5-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide (CID 50842624) is N-[3-methyl-5-[(E)-2-[5-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-methyl-5-[(E)-2-[5-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-methyl-5-[(E)-2-[5-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide is Cc1ccccc1CNS(=O)(=O)c1ccc(/C=C/c2onc(C)c2NC(=O)C2CC2)s1.
What is the InChIKey of N-[3-methyl-5-[(E)-2-[5-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The InChIKey is JCHZDJJTRCXHON-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-14-5-3-4-6-17(14)13-23-31(27,28)20-12-10-18(30-20)9-11-19-21(15(2)25-29-19)24-22(26)16-7-8-16/h3-6,9-12,16,23H,7-8,13H2,1-2H3,(H,24,26)/b11-9+.
What are the key properties of N-[3-methyl-5-[(E)-2-[5-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide?
N-[3-methyl-5-[(E)-2-[5-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide has a molecular weight of 457.58 g/mol, XLogP of 4.35, 8 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-[(2-methylphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 50842624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).