4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide

C19H24N2O5S — CID 171138861

IUPAC4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide
SMILESCCOc1ccc(C(N)=O)cc1S(=O)(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-3-26-17-10-9-15(19(20)22)13-18(17)27(23,24)21-11-5-7-14-6-4-8-16(12-14)25-2/h4,6,8-10,12-13,21H,3,5,7,11H2,1-2H3,(H2,20,22)
InChIKeyNHBYQIHKLLXRJB-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.10
Rot. Bonds10

About 4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide

4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide (PubChem CID 171138861) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide
PubChem CID171138861
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide
SMILESCCOc1ccc(C(N)=O)cc1S(=O)(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-3-26-17-10-9-15(19(20)22)13-18(17)27(23,24)21-11-5-7-14-6-4-8-16(12-14)25-2/h4,6,8-10,12-13,21H,3,5,7,11H2,1-2H3,(H2,20,22)
InChIKeyNHBYQIHKLLXRJB-UHFFFAOYSA-N
XLogP2.10
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 141008380
4-ethoxy-N-[3-(3-methoxyphenyl)propyl]benzamide
CID 95172520
4-methoxy-N-(3-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 18892405
3-cyano-N-[3-(3-methoxyphenyl)propyl]-4-propoxybenzenesulfonamide
CID 171134203
4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 109058710
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide
CID 7618938
4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 107856245
5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 25180257
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113098177
2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide
CID 39454552

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide?
The IUPAC name of 4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide (CID 171138861) is 4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide?
The canonical SMILES for 4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide is CCOc1ccc(C(N)=O)cc1S(=O)(=O)NCCCc1cccc(OC)c1.
What is the InChIKey of 4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide?
The InChIKey is NHBYQIHKLLXRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-3-26-17-10-9-15(19(20)22)13-18(17)27(23,24)21-11-5-7-14-6-4-8-16(12-14)25-2/h4,6,8-10,12-13,21H,3,5,7,11H2,1-2H3,(H2,20,22).
What are the key properties of 4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide?
4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide has a molecular weight of 392.48 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide is sourced from PubChem (CID 171138861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).