N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide

C18H22N2O3S — CID 18582824

IUPACN-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c21-18(17-11-5-2-6-12-17)19-14-15-24(22,23)20-13-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,20H,7,10,13-15H2,(H,19,21)
InChIKeyYLLQPKOPEGRWCX-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.97
Rot. Bonds9

About N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide

N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide (PubChem CID 18582824) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
PubChem CID18582824
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c21-18(17-11-5-2-6-12-17)19-14-15-24(22,23)20-13-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,20H,7,10,13-15H2,(H,19,21)
InChIKeyYLLQPKOPEGRWCX-UHFFFAOYSA-N
XLogP1.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide?
The IUPAC name of N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide (CID 18582824) is N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide?
The canonical SMILES for N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide is O=C(NCCS(=O)(=O)NCCCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide?
The InChIKey is YLLQPKOPEGRWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-18(17-11-5-2-6-12-17)19-14-15-24(22,23)20-13-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,20H,7,10,13-15H2,(H,19,21).
What are the key properties of N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide?
N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 18582824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).