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

C16H19N3O5S — CID 55826561

IUPAC2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19N3O5S/c1-11-14(7-9-24-11)16(21)19-10-15(20)18-8-6-12-2-4-13(5-3-12)25(17,22)23/h2-5,7,9H,6,8,10H2,1H3,(H,18,20)(H,19,21)(H2,17,22,23)
InChIKeyKPCXPZRIRMJGOS-UHFFFAOYSA-N
MW365.41 g/mol
LogP0.32
Rot. Bonds7

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

2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide (PubChem CID 55826561) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide
PubChem CID55826561
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19N3O5S/c1-11-14(7-9-24-11)16(21)19-10-15(20)18-8-6-12-2-4-13(5-3-12)25(17,22)23/h2-5,7,9H,6,8,10H2,1H3,(H,18,20)(H,19,21)(H2,17,22,23)
InChIKeyKPCXPZRIRMJGOS-UHFFFAOYSA-N
XLogP0.32
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 46651326
2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2687936
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993
2-methyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 35352937
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24537163
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
trans-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8019903

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide (CID 55826561) is 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide is Cc1occc1C(=O)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide?
The InChIKey is KPCXPZRIRMJGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-11-14(7-9-24-11)16(21)19-10-15(20)18-8-6-12-2-4-13(5-3-12)25(17,22)23/h2-5,7,9H,6,8,10H2,1H3,(H,18,20)(H,19,21)(H2,17,22,23).
What are the key properties of 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide?
2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 55826561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).