4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide

C20H26N2O4S — CID 109058710

IUPAC4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCCCCNS(=O)(=O)c1ccc(C(=O)NCCc2cccc(OC)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-4-13-22-27(24,25)19-10-8-17(9-11-19)20(23)21-14-12-16-6-5-7-18(15-16)26-2/h5-11,15,22H,3-4,12-14H2,1-2H3,(H,21,23)
InChIKeyBLNHRAQMXZAUPR-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.75
Rot. Bonds10

About 4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide

4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 109058710) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID109058710
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCCCCNS(=O)(=O)c1ccc(C(=O)NCCc2cccc(OC)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-4-13-22-27(24,25)19-10-8-17(9-11-19)20(23)21-14-12-16-6-5-7-18(15-16)26-2/h5-11,15,22H,3-4,12-14H2,1-2H3,(H,21,23)
InChIKeyBLNHRAQMXZAUPR-UHFFFAOYSA-N
XLogP2.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(butylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 109058705
4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 54233472
N-(3-methoxyphenyl)-4-(pentylsulfamoyl)benzamide
CID 109061401
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
4-ethoxy-N-[3-(3-methoxyphenyl)propyl]benzamide
CID 95172520
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
CID 109236721

Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide (CID 109058710) is 4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide is CCCCNS(=O)(=O)c1ccc(C(=O)NCCc2cccc(OC)c2)cc1.
What is the InChIKey of 4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is BLNHRAQMXZAUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-4-13-22-27(24,25)19-10-8-17(9-11-19)20(23)21-14-12-16-6-5-7-18(15-16)26-2/h5-11,15,22H,3-4,12-14H2,1-2H3,(H,21,23).
What are the key properties of 4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 109058710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).