N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide

C19H22FNOS — CID 68550463

IUPACN-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide
SMILESCC1(C)CCc2cc(CNC(=O)Cc3ccc(F)cc3)sc2C1
InChIInChI=1S/C19H22FNOS/c1-19(2)8-7-14-10-16(23-17(14)11-19)12-21-18(22)9-13-3-5-15(20)6-4-13/h3-6,10H,7-9,11-12H2,1-2H3,(H,21,22)
InChIKeyAJGJWQHLNXKPIX-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.26
Rot. Bonds4

About N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide

N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 68550463) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide
PubChem CID68550463
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC NameN-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide
SMILESCC1(C)CCc2cc(CNC(=O)Cc3ccc(F)cc3)sc2C1
InChIInChI=1S/C19H22FNOS/c1-19(2)8-7-14-10-16(23-17(14)11-19)12-21-18(22)9-13-3-5-15(20)6-4-13/h3-6,10H,7-9,11-12H2,1-2H3,(H,21,22)
InChIKeyAJGJWQHLNXKPIX-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78957558
2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide
CID 110294576
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867057
2-(4-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 47292141
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
CID 115455987
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362285
N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768429
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311970
N-[(4-fluorophenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112528395

Frequently Asked Questions

What is the IUPAC name of N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide (CID 68550463) is N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide is CC1(C)CCc2cc(CNC(=O)Cc3ccc(F)cc3)sc2C1.
What is the InChIKey of N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is AJGJWQHLNXKPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-19(2)8-7-14-10-16(23-17(14)11-19)12-21-18(22)9-13-3-5-15(20)6-4-13/h3-6,10H,7-9,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide?
N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl)methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 68550463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).