1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone

C14H15NO4S — CID 133462511

IUPAC1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(C)(=O)=O)c(NCc2ccco2)c1
InChIInChI=1S/C14H15NO4S/c1-10(16)11-5-6-14(20(2,17)18)13(8-11)15-9-12-4-3-7-19-12/h3-8,15H,9H2,1-2H3
InChIKeyQZNUAXGGKCUDCP-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.50
Rot. Bonds5

About 1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone

1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone (PubChem CID 133462511) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone
PubChem CID133462511
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(C)(=O)=O)c(NCc2ccco2)c1
InChIInChI=1S/C14H15NO4S/c1-10(16)11-5-6-14(20(2,17)18)13(8-11)15-9-12-4-3-7-19-12/h3-8,15H,9H2,1-2H3
InChIKeyQZNUAXGGKCUDCP-UHFFFAOYSA-N
XLogP2.50
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-(furan-2-ylmethylamino)-5-methylsulfonylbenzoic acid
CID 54413007
5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 39445497
1-N-(furan-2-ylmethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382625
4-chloro-3-(furan-2-ylmethylamino)benzamide
CID 43679459
3-(furan-2-ylmethylamino)-4-methoxybenzamide
CID 43735328
N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468
2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2975957
3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
CID 54867068
2-(4-acetylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31664817
N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209563
N-(furan-2-ylmethyl)acetamide
CID 2394850
1-(3-hydroxy-4-methylsulfonylphenyl)ethanone
CID 47003472

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone?
The IUPAC name of 1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone (CID 133462511) is 1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone is CC(=O)c1ccc(S(C)(=O)=O)c(NCc2ccco2)c1.
What is the InChIKey of 1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone?
The InChIKey is QZNUAXGGKCUDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-10(16)11-5-6-14(20(2,17)18)13(8-11)15-9-12-4-3-7-19-12/h3-8,15H,9H2,1-2H3.
What are the key properties of 1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone?
1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone has a molecular weight of 293.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone is sourced from PubChem (CID 133462511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).