2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C14H20N2O4S — CID 60769664

IUPAC2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CC2CCCO2)cc1
InChIInChI=1S/C14H20N2O4S/c15-21(18,19)13-5-3-11(4-6-13)7-8-16-14(17)10-12-2-1-9-20-12/h3-6,12H,1-2,7-10H2,(H,16,17)(H2,15,18,19)
InChIKeyHNRIOWIONUUPGJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.56
Rot. Bonds6

About 2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 60769664) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID60769664
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CC2CCCO2)cc1
InChIInChI=1S/C14H20N2O4S/c15-21(18,19)13-5-3-11(4-6-13)7-8-16-14(17)10-12-2-1-9-20-12/h3-6,12H,1-2,7-10H2,(H,16,17)(H2,15,18,19)
InChIKeyHNRIOWIONUUPGJ-UHFFFAOYSA-N
XLogP0.56
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 60769664) is 2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CC2CCCO2)cc1.
What is the InChIKey of 2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is HNRIOWIONUUPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c15-21(18,19)13-5-3-11(4-6-13)7-8-16-14(17)10-12-2-1-9-20-12/h3-6,12H,1-2,7-10H2,(H,16,17)(H2,15,18,19).
What are the key properties of 2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 312.39 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 60769664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).