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

C22H28N2O4S — CID 6233289

IUPAC(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C22H28N2O4S/c1-4-16-24(17-5-2)29(26,27)20-13-11-19(12-14-20)23-22(25)15-10-18-8-6-7-9-21(18)28-3/h6-15H,4-5,16-17H2,1-3H3,(H,23,25)/b15-10+
InChIKeyFMBQXTVGBQVEEC-XNTDXEJSSA-N
MW416.54 g/mol
LogP4.16
Rot. Bonds10

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

(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 6233289) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID6233289
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C22H28N2O4S/c1-4-16-24(17-5-2)29(26,27)20-13-11-19(12-14-20)23-22(25)15-10-18-8-6-7-9-21(18)28-3/h6-15H,4-5,16-17H2,1-3H3,(H,23,25)/b15-10+
InChIKeyFMBQXTVGBQVEEC-XNTDXEJSSA-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-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6259894
(E)-N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 6233403
N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 4929254
3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 5114432
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180
(E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6256436
N-[4-(dipropylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)propanamide
CID 4943258
3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 4089230
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3982456
3-(2-methoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4506725
3-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]propanoic acid
CID 10568068
ethyl 4-[3-(2-methoxyphenyl)prop-2-enoylamino]benzoate
CID 887040

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 6233289) is (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC)cc1.
What is the InChIKey of (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is FMBQXTVGBQVEEC-XNTDXEJSSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-4-16-24(17-5-2)29(26,27)20-13-11-19(12-14-20)23-22(25)15-10-18-8-6-7-9-21(18)28-3/h6-15H,4-5,16-17H2,1-3H3,(H,23,25)/b15-10+.
What are the key properties of (E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-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-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6233289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).