3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide

C15H18N2O4S — CID 51213557

IUPAC3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccco1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H18N2O4S/c1-11(12-4-2-6-14(10-12)22(16,19)20)17-15(18)8-7-13-5-3-9-21-13/h2-6,9-11H,7-8H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyPCSNFYJBPDUXOD-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.74
Rot. Bonds6

About 3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide

3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide (PubChem CID 51213557) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
PubChem CID51213557
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccco1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H18N2O4S/c1-11(12-4-2-6-14(10-12)22(16,19)20)17-15(18)8-7-13-5-3-9-21-13/h2-6,9-11H,7-8H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyPCSNFYJBPDUXOD-UHFFFAOYSA-N
XLogP1.74
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34761975
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 34476835
3-[1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]benzenesulfonamide
CID 81402634
3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea
CID 99804013
2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51102309
3-(furan-2-yl)-N-(4-sulfamoylphenyl)propanamide
CID 18863026
(3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 52517225
2-[3-(furan-2-yl)propanoylamino]-3-methylbutanoic acid
CID 43183392
2-(4-methylphenyl)sulfanyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213545
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide
CID 42921804
3-[3-(furan-2-yl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218976

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide (CID 51213557) is 3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide is CC(NC(=O)CCc1ccco1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is PCSNFYJBPDUXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-11(12-4-2-6-14(10-12)22(16,19)20)17-15(18)8-7-13-5-3-9-21-13/h2-6,9-11H,7-8H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide?
3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 322.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 51213557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).