N-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide

C16H19N3O5S — CID 2576286

IUPACN-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H19N3O5S/c17-25(22,23)13-5-3-12(4-6-13)7-9-18-15(20)8-10-19-16(21)14-2-1-11-24-14/h1-6,11H,7-10H2,(H,18,20)(H,19,21)(H2,17,22,23)
InChIKeyIFNGUQZWVHQJNB-UHFFFAOYSA-N
MW365.41 g/mol
LogP0.41
Rot. Bonds8

About N-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide

N-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide (PubChem CID 2576286) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide
PubChem CID2576286
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC NameN-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H19N3O5S/c17-25(22,23)13-5-3-12(4-6-13)7-9-18-15(20)8-10-19-16(21)14-2-1-11-24-14/h1-6,11H,7-10H2,(H,18,20)(H,19,21)(H2,17,22,23)
InChIKeyIFNGUQZWVHQJNB-UHFFFAOYSA-N
XLogP0.41
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide (CID 2576286) is N-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)CCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide?
The InChIKey is IFNGUQZWVHQJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c17-25(22,23)13-5-3-12(4-6-13)7-9-18-15(20)8-10-19-16(21)14-2-1-11-24-14/h1-6,11H,7-10H2,(H,18,20)(H,19,21)(H2,17,22,23).
What are the key properties of N-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide?
N-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]furan-2-carboxamide is sourced from PubChem (CID 2576286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).