2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide

C14H20FNOS — CID 86975849

IUPAC2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(F)c1)C(=O)CSC(C)(C)C
InChIInChI=1S/C14H20FNOS/c1-14(2,3)18-10-13(17)16(4)9-11-6-5-7-12(15)8-11/h5-8H,9-10H2,1-4H3
InChIKeyCFQCVKPOUPFERR-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.32
Rot. Bonds4

About 2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide

2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 86975849) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
PubChem CID86975849
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(F)c1)C(=O)CSC(C)(C)C
InChIInChI=1S/C14H20FNOS/c1-14(2,3)18-10-13(17)16(4)9-11-6-5-7-12(15)8-11/h5-8H,9-10H2,1-4H3
InChIKeyCFQCVKPOUPFERR-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfanyl-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 78771093
5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934884
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 26292160
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
2-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81230408
N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 78851523
N-tert-butyl-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 8767568
2-[(3-cyanophenyl)methylsulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 8965051
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
CID 28971589
4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide (CID 86975849) is 2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1cccc(F)c1)C(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is CFQCVKPOUPFERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-14(2,3)18-10-13(17)16(4)9-11-6-5-7-12(15)8-11/h5-8H,9-10H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 269.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 86975849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).