N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide

C23H30N2O5S — CID 55454405

IUPACN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1OC
InChIInChI=1S/C23H30N2O5S/c1-6-15-30-21-14-11-19(16-22(21)29-5)23(26)24-17(4)18-9-12-20(13-10-18)31(27,28)25(7-2)8-3/h6,9-14,16-17H,1,7-8,15H2,2-5H3,(H,24,26)
InChIKeyULNSXTDSTRTTBY-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.78
Rot. Bonds11

About N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide (PubChem CID 55454405) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide
PubChem CID55454405
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1OC
InChIInChI=1S/C23H30N2O5S/c1-6-15-30-21-14-11-19(16-22(21)29-5)23(26)24-17(4)18-9-12-20(13-10-18)31(27,28)25(7-2)8-3/h6,9-14,16-17H,1,7-8,15H2,2-5H3,(H,24,26)
InChIKeyULNSXTDSTRTTBY-UHFFFAOYSA-N
XLogP3.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46654068
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 43874005
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide
CID 55595903
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide
CID 27861011
3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
CID 18161158
3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 24547727
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 92686168
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide
CID 133230936

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide?
The IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide (CID 55454405) is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NC(C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1OC.
What is the InChIKey of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide?
The InChIKey is ULNSXTDSTRTTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-6-15-30-21-14-11-19(16-22(21)29-5)23(26)24-17(4)18-9-12-20(13-10-18)31(27,28)25(7-2)8-3/h6,9-14,16-17H,1,7-8,15H2,2-5H3,(H,24,26).
What are the key properties of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide?
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide has a molecular weight of 446.57 g/mol, XLogP of 3.78, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide is sourced from PubChem (CID 55454405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).