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

C21H20ClN3O4S2 — CID 50842920

IUPACN-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
SMILESCc1noc(/C=C/c2ccc(S(=O)(=O)NCc3ccccc3Cl)s2)c1NC(=O)C1CC1
InChIInChI=1S/C21H20ClN3O4S2/c1-13-20(24-21(26)14-6-7-14)18(29-25-13)10-8-16-9-11-19(30-16)31(27,28)23-12-15-4-2-3-5-17(15)22/h2-5,8-11,14,23H,6-7,12H2,1H3,(H,24,26)/b10-8+
InChIKeyLLWILWJRGPGYMV-CSKARUKUSA-N
MW478.00 g/mol
LogP4.70
Rot. Bonds8

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

N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide (PubChem CID 50842920) has the molecular formula C21H20ClN3O4S2 and a molecular weight of 478.00 g/mol. Its IUPAC name is N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
PubChem CID50842920
Molecular FormulaC21H20ClN3O4S2
Molecular Weight478.00 g/mol
Exact Mass477.06
IUPAC NameN-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
SMILESCc1noc(/C=C/c2ccc(S(=O)(=O)NCc3ccccc3Cl)s2)c1NC(=O)C1CC1
InChIInChI=1S/C21H20ClN3O4S2/c1-13-20(24-21(26)14-6-7-14)18(29-25-13)10-8-16-9-11-19(30-16)31(27,28)23-12-15-4-2-3-5-17(15)22/h2-5,8-11,14,23H,6-7,12H2,1H3,(H,24,26)/b10-8+
InChIKeyLLWILWJRGPGYMV-CSKARUKUSA-N
XLogP4.70
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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]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
5-[(E)-2-[3-methyl-4-(propanoylamino)-1,2-oxazol-5-yl]ethenyl]thiophene-2-sulfonyl chloride
CID 53212031
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
N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394651
N-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394598
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide (CID 50842920) is N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide is Cc1noc(/C=C/c2ccc(S(=O)(=O)NCc3ccccc3Cl)s2)c1NC(=O)C1CC1.
What is the InChIKey of N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The InChIKey is LLWILWJRGPGYMV-CSKARUKUSA-N. The full InChI is InChI=1S/C21H20ClN3O4S2/c1-13-20(24-21(26)14-6-7-14)18(29-25-13)10-8-16-9-11-19(30-16)31(27,28)23-12-15-4-2-3-5-17(15)22/h2-5,8-11,14,23H,6-7,12H2,1H3,(H,24,26)/b10-8+.
What are the key properties of N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide has a molecular weight of 478.00 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 50842920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).