N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide

C25H26N2O5S — CID 21367927

IUPACN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2)ccc1OC
InChIInChI=1S/C25H26N2O5S/c1-4-6-18-17-19(7-16-24(18)31-3)25(28)26-20-10-14-23(15-11-20)33(29,30)27-21-8-12-22(13-9-21)32-5-2/h4,7-17,27H,1,5-6H2,2-3H3,(H,26,28)
InChIKeyRABJCXJAHDUNRL-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.88
Rot. Bonds10

About N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide (PubChem CID 21367927) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide
PubChem CID21367927
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2)ccc1OC
InChIInChI=1S/C25H26N2O5S/c1-4-6-18-17-19(7-16-24(18)31-3)25(28)26-20-10-14-23(15-11-20)33(29,30)27-21-8-12-22(13-9-21)32-5-2/h4,7-17,27H,1,5-6H2,2-3H3,(H,26,28)
InChIKeyRABJCXJAHDUNRL-UHFFFAOYSA-N
XLogP4.88
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21368139
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584
3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55346054
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062515
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167768510
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 98397485
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
CID 3950835

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide (CID 21367927) is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2)ccc1OC.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide?
The InChIKey is RABJCXJAHDUNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-4-6-18-17-19(7-16-24(18)31-3)25(28)26-20-10-14-23(15-11-20)33(29,30)27-21-8-12-22(13-9-21)32-5-2/h4,7-17,27H,1,5-6H2,2-3H3,(H,26,28).
What are the key properties of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide?
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide has a molecular weight of 466.56 g/mol, XLogP of 4.88, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide is sourced from PubChem (CID 21367927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).