5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide

C14H16N2O4S — CID 100664717

IUPAC5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NCc1ccc(C(N)=O)o1
InChIInChI=1S/C14H16N2O4S/c1-2-21(18,19)13-6-4-3-5-11(13)16-9-10-7-8-12(20-10)14(15)17/h3-8,16H,2,9H2,1H3,(H2,15,17)
InChIKeyBKJJWMSCAWNEFX-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.78
Rot. Bonds6

About 5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide

5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide (PubChem CID 100664717) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide
PubChem CID100664717
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NCc1ccc(C(N)=O)o1
InChIInChI=1S/C14H16N2O4S/c1-2-21(18,19)13-6-4-3-5-11(13)16-9-10-7-8-12(20-10)14(15)17/h3-8,16H,2,9H2,1H3,(H2,15,17)
InChIKeyBKJJWMSCAWNEFX-UHFFFAOYSA-N
XLogP1.78
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline
CID 62346709
N-[(5-bromofuran-2-yl)methyl]-2-ethylsulfonylaniline
CID 43738181
N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline
CID 43738191
2-(2-ethylsulfonylanilino)-2-methylpropanamide
CID 61220775
2-ethylsulfonyl-N-[(4-methylsulfinylphenyl)methyl]aniline
CID 102562312
3-[(2-ethylsulfonylanilino)methyl]-2-methylaniline
CID 103110760
2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 113332915
methyl 5-[(2-ethylsulfanylanilino)methyl]furan-2-carboxylate
CID 60936456
2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide
CID 76892969
N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline
CID 66416123
N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide
CID 43792036
2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide
CID 60780514

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide (CID 100664717) is 5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide is CCS(=O)(=O)c1ccccc1NCc1ccc(C(N)=O)o1.
What is the InChIKey of 5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide?
The InChIKey is BKJJWMSCAWNEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-2-21(18,19)13-6-4-3-5-11(13)16-9-10-7-8-12(20-10)14(15)17/h3-8,16H,2,9H2,1H3,(H2,15,17).
What are the key properties of 5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide?
5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide is sourced from PubChem (CID 100664717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).