N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide

C16H19NO4S — CID 86792096

IUPACN-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide
SMILESCCc1ccc(CC(=O)NS(=O)(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H19NO4S/c1-4-13-5-7-14(8-6-13)10-16(18)17-22(19,20)15-9-11(2)21-12(15)3/h5-9H,4,10H2,1-3H3,(H,17,18)
InChIKeyJPVMTFVVZIWQRQ-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.51
Rot. Bonds5

About N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide

N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide (PubChem CID 86792096) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide
PubChem CID86792096
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide
SMILESCCc1ccc(CC(=O)NS(=O)(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H19NO4S/c1-4-13-5-7-14(8-6-13)10-16(18)17-22(19,20)15-9-11(2)21-12(15)3/h5-9H,4,10H2,1-3H3,(H,17,18)
InChIKeyJPVMTFVVZIWQRQ-UHFFFAOYSA-N
XLogP2.51
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide?
The IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide (CID 86792096) is N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide?
The canonical SMILES for N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide is CCc1ccc(CC(=O)NS(=O)(=O)c2cc(C)oc2C)cc1.
What is the InChIKey of N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide?
The InChIKey is JPVMTFVVZIWQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-4-13-5-7-14(8-6-13)10-16(18)17-22(19,20)15-9-11(2)21-12(15)3/h5-9H,4,10H2,1-3H3,(H,17,18).
What are the key properties of N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide?
N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylfuran-3-yl)sulfonyl-2-(4-ethylphenyl)acetamide is sourced from PubChem (CID 86792096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).