N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide

C18H21N3O4S — CID 46394651

IUPACN-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
SMILESCCNS(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(=O)C2CC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-3-19-26(23,24)15-9-4-13(5-10-15)6-11-16-17(12(2)21-25-16)20-18(22)14-7-8-14/h4-6,9-11,14,19H,3,7-8H2,1-2H3,(H,20,22)/b11-6-
InChIKeyXOGYFBWVKWRXSE-WDZFZDKYSA-N
MW375.45 g/mol
LogP2.80
Rot. Bonds7

About N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide

N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide (PubChem CID 46394651) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
PubChem CID46394651
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
SMILESCCNS(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(=O)C2CC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-3-19-26(23,24)15-9-4-13(5-10-15)6-11-16-17(12(2)21-25-16)20-18(22)14-7-8-14/h4-6,9-11,14,19H,3,7-8H2,1-2H3,(H,20,22)/b11-6-
InChIKeyXOGYFBWVKWRXSE-WDZFZDKYSA-N
XLogP2.80
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394643
N-[3-methyl-5-[(Z)-2-[4-(2-phenylpropylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394661
N-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394598
N-[5-[(Z)-2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394632
N-[5-[(Z)-2-[4-(cycloheptylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50839094
N-[3-methyl-5-[(Z)-2-[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50839275
N-[5-[(Z)-2-[4-(benzylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394574
N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50839020
N-[3-methyl-5-[(Z)-2-[4-(3-phenylpropylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50838994
N-[5-[(Z)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50839324
N-[5-[(Z)-2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394527
5-[(E)-2-[4-(cyclopropanecarbonylamino)-3-methyl-1,2-oxazol-5-yl]ethenyl]thiophene-2-sulfonyl chloride
CID 53212030

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide (CID 46394651) is N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide is CCNS(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(=O)C2CC2)cc1.
What is the InChIKey of N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The InChIKey is XOGYFBWVKWRXSE-WDZFZDKYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-3-19-26(23,24)15-9-4-13(5-10-15)6-11-16-17(12(2)21-25-16)20-18(22)14-7-8-14/h4-6,9-11,14,19H,3,7-8H2,1-2H3,(H,20,22)/b11-6-.
What are the key properties of N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46394651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).