2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide

C18H21FN2O2S — CID 18127200

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc(SC)cc2)cc1F
InChIInChI=1S/C18H21FN2O2S/c1-21(11-13-4-9-17(23-2)16(19)10-13)12-18(22)20-14-5-7-15(24-3)8-6-14/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyHZOZBHUSQPNUJG-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.63
Rot. Bonds7

About 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide

2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 18127200) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
PubChem CID18127200
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc(SC)cc2)cc1F
InChIInChI=1S/C18H21FN2O2S/c1-21(11-13-4-9-17(23-2)16(19)10-13)12-18(22)20-14-5-7-15(24-3)8-6-14/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyHZOZBHUSQPNUJG-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-hydroxyphenyl)acetamide
CID 18124502
N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 9199146
N-(3,4-dichlorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432773
propan-2-yl 4-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9432650
N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9431404
ethyl (E)-3-[4-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]phenyl]prop-2-enoate
CID 18127201
N-(5-chloro-2-fluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432683
N-(4-chloro-3-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 39778498
2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 30796172
2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 17426103
N,N-diethyl-3-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 8681454
N-(4-fluorophenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434497

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide (CID 18127200) is 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide is COc1ccc(CN(C)CC(=O)Nc2ccc(SC)cc2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is HZOZBHUSQPNUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-21(11-13-4-9-17(23-2)16(19)10-13)12-18(22)20-14-5-7-15(24-3)8-6-14/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide?
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 348.44 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 18127200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).