3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide

C21H20N4O4S — CID 55965004

IUPAC3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)C=Cc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C21H20N4O4S/c1-14-2-6-16(21-24-22-13-29-21)12-19(14)23-20(26)11-5-15-3-9-18(10-4-15)30(27,28)25-17-7-8-17/h2-6,9-13,17,25H,7-8H2,1H3,(H,23,26)
InChIKeyVSWAPRMTFNHXOF-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.14
Rot. Bonds7

About 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide (PubChem CID 55965004) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
PubChem CID55965004
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)C=Cc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C21H20N4O4S/c1-14-2-6-16(21-24-22-13-29-21)12-19(14)23-20(26)11-5-15-3-9-18(10-4-15)30(27,28)25-17-7-8-17/h2-6,9-13,17,25H,7-8H2,1H3,(H,23,26)
InChIKeyVSWAPRMTFNHXOF-UHFFFAOYSA-N
XLogP3.14
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
CID 87045571
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
CID 60555858
N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 103438990
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
CID 55731623
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide
CID 103597898
3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 102777906
2-amino-2-cyclopropyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 60867901
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 43706116
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
(2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 61180590
(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
CID 38964102

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
The IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide (CID 55965004) is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide is Cc1ccc(-c2nnco2)cc1NC(=O)C=Cc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
The InChIKey is VSWAPRMTFNHXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-14-2-6-16(21-24-22-13-29-21)12-19(14)23-20(26)11-5-15-3-9-18(10-4-15)30(27,28)25-17-7-8-17/h2-6,9-13,17,25H,7-8H2,1H3,(H,23,26).
What are the key properties of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide has a molecular weight of 424.48 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 55965004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).