2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide

C15H18N2O4S — CID 78814202

IUPAC2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c(C)o1
InChIInChI=1S/C15H18N2O4S/c1-9-7-14(11(3)21-9)15(18)17-10(2)12-5-4-6-13(8-12)22(16,19)20/h4-8,10H,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyDBIWULXGIVEOQH-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.03
Rot. Bonds4

About 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide

2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide (PubChem CID 78814202) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
PubChem CID78814202
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c(C)o1
InChIInChI=1S/C15H18N2O4S/c1-9-7-14(11(3)21-9)15(18)17-10(2)12-5-4-6-13(8-12)22(16,19)20/h4-8,10H,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyDBIWULXGIVEOQH-UHFFFAOYSA-N
XLogP2.03
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 40635729
2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213570
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469
5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 51213515
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 47009666
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 122159478
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 18114856
N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 167857934
N-[1-(3-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 51213549
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 43297842

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide (CID 78814202) is 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide is Cc1cc(C(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide?
The InChIKey is DBIWULXGIVEOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-9-7-14(11(3)21-9)15(18)17-10(2)12-5-4-6-13(8-12)22(16,19)20/h4-8,10H,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 78814202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).