2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide

C16H18N2O5S — CID 2975957

IUPAC2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)c1
InChIInChI=1S/C16H18N2O5S/c1-12(19)13-5-3-6-14(9-13)18(24(2,21)22)11-16(20)17-10-15-7-4-8-23-15/h3-9H,10-11H2,1-2H3,(H,17,20)
InChIKeyAOVYIJIPZJWJAD-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.56
Rot. Bonds7

About 2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide

2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 2975957) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID2975957
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)c1
InChIInChI=1S/C16H18N2O5S/c1-12(19)13-5-3-6-14(9-13)18(24(2,21)22)11-16(20)17-10-15-7-4-8-23-15/h3-9H,10-11H2,1-2H3,(H,17,20)
InChIKeyAOVYIJIPZJWJAD-UHFFFAOYSA-N
XLogP1.56
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281
2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2971946
N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 1313308
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3917136
2-(3-acetyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 2983830
2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide
CID 3538765
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1137010
N-(furan-2-ylmethyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 50947122
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2973377
2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113157141
N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide
CID 108945142
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113155016

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide (CID 2975957) is 2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide is CC(=O)c1cccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is AOVYIJIPZJWJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-12(19)13-5-3-6-14(9-13)18(24(2,21)22)11-16(20)17-10-15-7-4-8-23-15/h3-9H,10-11H2,1-2H3,(H,17,20).
What are the key properties of 2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 350.40 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2975957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).