2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide

C17H16FNO3S — CID 110774336

IUPAC2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCS2(=O)=O)Nc1ccccc1F
InChIInChI=1S/C17H16FNO3S/c18-14-5-1-2-6-15(14)19-17(20)11-12-7-8-16-13(10-12)4-3-9-23(16,21)22/h1-2,5-8,10H,3-4,9,11H2,(H,19,20)
InChIKeyTUGJWTCQAAEEPD-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.73
Rot. Bonds3

About 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide

2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 110774336) has the molecular formula C17H16FNO3S and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide
PubChem CID110774336
Molecular FormulaC17H16FNO3S
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC Name2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCS2(=O)=O)Nc1ccccc1F
InChIInChI=1S/C17H16FNO3S/c18-14-5-1-2-6-15(14)19-17(20)11-12-7-8-16-13(10-12)4-3-9-23(16,21)22/h1-2,5-8,10H,3-4,9,11H2,(H,19,20)
InChIKeyTUGJWTCQAAEEPD-UHFFFAOYSA-N
XLogP2.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 110774350
N-benzyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 110774303
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-fluorophenyl)acetamide
CID 51309459
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 116932296
N-cyclohexyl-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 110774290
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110774306
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(3-methylbutyl)acetamide
CID 110774321
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 55358221
2-(3-fluorophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 26515848
2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methylamino]acetic acid
CID 115218041
N-(2-fluorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 41484310
N-(2-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 34749475

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide (CID 110774336) is 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide is O=C(Cc1ccc2c(c1)CCCS2(=O)=O)Nc1ccccc1F.
What is the InChIKey of 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is TUGJWTCQAAEEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3S/c18-14-5-1-2-6-15(14)19-17(20)11-12-7-8-16-13(10-12)4-3-9-23(16,21)22/h1-2,5-8,10H,3-4,9,11H2,(H,19,20).
What are the key properties of 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide?
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 333.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 110774336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).