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

C24H32N2O4S — CID 6256436

IUPAC(E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H32N2O4S/c1-4-6-18-26(19-7-5-2)31(28,29)23-15-11-21(12-16-23)25-24(27)17-10-20-8-13-22(30-3)14-9-20/h8-17H,4-7,18-19H2,1-3H3,(H,25,27)/b17-10+
InChIKeyOYGBKIGFIGQESH-LICLKQGHSA-N
MW444.60 g/mol
LogP4.94
Rot. Bonds12

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

(E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 6256436) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is (E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID6256436
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name(E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H32N2O4S/c1-4-6-18-26(19-7-5-2)31(28,29)23-15-11-21(12-16-23)25-24(27)17-10-20-8-13-22(30-3)14-9-20/h8-17H,4-7,18-19H2,1-3H3,(H,25,27)/b17-10+
InChIKeyOYGBKIGFIGQESH-LICLKQGHSA-N
XLogP4.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.94
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
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
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227080
N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 2187490
(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
(E)-3-[4-(dipropylsulfamoyl)phenyl]-N-[4-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-yl]prop-2-enamide
CID 89230431

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 6256436) is (E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide is CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is OYGBKIGFIGQESH-LICLKQGHSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-4-6-18-26(19-7-5-2)31(28,29)23-15-11-21(12-16-23)25-24(27)17-10-20-8-13-22(30-3)14-9-20/h8-17H,4-7,18-19H2,1-3H3,(H,25,27)/b17-10+.
What are the key properties of (E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 444.60 g/mol, XLogP of 4.94, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(dibutylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6256436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).