3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide

C23H26N2O4S — CID 55917955

IUPAC3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)C=Cc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C23H26N2O4S/c1-3-16-25(17-19-4-11-21(29-2)12-5-19)23(26)15-8-18-6-13-22(14-7-18)30(27,28)24-20-9-10-20/h3-8,11-15,20,24H,1,9-10,16-17H2,2H3
InChIKeyWRNTXMYQEGACQK-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.36
Rot. Bonds10

About 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide (PubChem CID 55917955) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide
PubChem CID55917955
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)C=Cc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C23H26N2O4S/c1-3-16-25(17-19-4-11-21(29-2)12-5-19)23(26)15-8-18-6-13-22(14-7-18)30(27,28)24-20-9-10-20/h3-8,11-15,20,24H,1,9-10,16-17H2,2H3
InChIKeyWRNTXMYQEGACQK-UHFFFAOYSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide
CID 38966225
(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]-N-methylprop-2-enamide
CID 39288139
(E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 55919224
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide
CID 55918463
(E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
CID 55687745
N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 3346658
3-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111272770
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
4-[[[(E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 39412399
3-[4-(piperidin-4-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 76899841
N-[(3-bromo-4-methoxyphenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
CID 76879785

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide?
The IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide (CID 55917955) is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide?
The canonical SMILES for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide is C=CCN(Cc1ccc(OC)cc1)C(=O)C=Cc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide?
The InChIKey is WRNTXMYQEGACQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-3-16-25(17-19-4-11-21(29-2)12-5-19)23(26)15-8-18-6-13-22(14-7-18)30(27,28)24-20-9-10-20/h3-8,11-15,20,24H,1,9-10,16-17H2,2H3.
What are the key properties of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide?
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide has a molecular weight of 426.54 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 55917955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).