(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide

C22H28N2O4S — CID 6259894

IUPAC(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-4-16-24(17-5-2)29(26,27)21-13-9-19(10-14-21)23-22(25)15-8-18-6-11-20(28-3)12-7-18/h6-15H,4-5,16-17H2,1-3H3,(H,23,25)/b15-8+
InChIKeyJRXMLIHPSVQXEB-OVCLIPMQSA-N
MW416.54 g/mol
LogP4.16
Rot. Bonds10

About (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 6259894) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID6259894
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-4-16-24(17-5-2)29(26,27)21-13-9-19(10-14-21)23-22(25)15-8-18-6-11-20(28-3)12-7-18/h6-15H,4-5,16-17H2,1-3H3,(H,23,25)/b15-8+
InChIKeyJRXMLIHPSVQXEB-OVCLIPMQSA-N
XLogP4.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6256436
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1226881
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3316575
(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 6233289
(E)-3-[4-(dipropylsulfamoyl)phenyl]-N-[4-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-yl]prop-2-enamide
CID 89230431
(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227080
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 954315
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2330150
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24640586
N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 4929254

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 6259894) is (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is JRXMLIHPSVQXEB-OVCLIPMQSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-4-16-24(17-5-2)29(26,27)21-13-9-19(10-14-21)23-22(25)15-8-18-6-11-20(28-3)12-7-18/h6-15H,4-5,16-17H2,1-3H3,(H,23,25)/b15-8+.
What are the key properties of (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 416.54 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6259894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).