2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide

C16H11F2NO3S — CID 75374354

IUPAC2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
SMILESO=C(Cc1cc(F)ccc1F)Nc1ccc2c(c1)S(=O)(=O)C=C2
InChIInChI=1S/C16H11F2NO3S/c17-12-2-4-14(18)11(7-12)8-16(20)19-13-3-1-10-5-6-23(21,22)15(10)9-13/h1-7,9H,8H2,(H,19,20)
InChIKeyUXTUYMKKRUKITN-UHFFFAOYSA-N
MW335.33 g/mol
LogP2.90
Rot. Bonds3

About 2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide

2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide (PubChem CID 75374354) has the molecular formula C16H11F2NO3S and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
PubChem CID75374354
Molecular FormulaC16H11F2NO3S
Molecular Weight335.33 g/mol
Exact Mass335.04
IUPAC Name2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
SMILESO=C(Cc1cc(F)ccc1F)Nc1ccc2c(c1)S(=O)(=O)C=C2
InChIInChI=1S/C16H11F2NO3S/c17-12-2-4-14(18)11(7-12)8-16(20)19-13-3-1-10-5-6-23(21,22)15(10)9-13/h1-7,9H,8H2,(H,19,20)
InChIKeyUXTUYMKKRUKITN-UHFFFAOYSA-N
XLogP2.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate
CID 102407593
2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 84589209
methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate
CID 139348053
2-cyano-N-(1,1-dioxo-1-benzothiophen-6-yl)-3-(3-fluorophenyl)prop-2-enamide
CID 118571080
2-cyano-N-(1,1-dioxo-1-benzothiophen-6-yl)-3-(2-fluorophenyl)prop-2-enamide
CID 118571106
3-(2,5-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 110922795
N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
N-(5-amino-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide
CID 115273710
N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide
CID 115274263
2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696427
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N-[4-(4-fluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide
CID 112986867

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide (CID 75374354) is 2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide is O=C(Cc1cc(F)ccc1F)Nc1ccc2c(c1)S(=O)(=O)C=C2.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
The InChIKey is UXTUYMKKRUKITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO3S/c17-12-2-4-14(18)11(7-12)8-16(20)19-13-3-1-10-5-6-23(21,22)15(10)9-13/h1-7,9H,8H2,(H,19,20).
What are the key properties of 2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide has a molecular weight of 335.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide is sourced from PubChem (CID 75374354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).