2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide

C18H19F2NOS — CID 34233996

IUPAC2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19F2NOS/c1-12(2)21-17(22)11-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,12,18H,11H2,1-2H3,(H,21,22)
InChIKeyDSYHLBQYSBTVLZ-UHFFFAOYSA-N
MW335.42 g/mol
LogP4.31
Rot. Bonds6

About 2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide

2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide (PubChem CID 34233996) has the molecular formula C18H19F2NOS and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
PubChem CID34233996
Molecular FormulaC18H19F2NOS
Molecular Weight335.42 g/mol
Exact Mass335.12
IUPAC Name2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19F2NOS/c1-12(2)21-17(22)11-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,12,18H,11H2,1-2H3,(H,21,22)
InChIKeyDSYHLBQYSBTVLZ-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide
CID 99136888
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112777242
2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide
CID 43567792
2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 112517412
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 39044875
[(1R)-1-cyanoethyl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate
CID 7752634
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 47030874
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60540976
N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 8744220
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate
CID 7752627
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880
2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 135680055

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide (CID 34233996) is 2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide?
The InChIKey is DSYHLBQYSBTVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NOS/c1-12(2)21-17(22)11-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,12,18H,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide?
2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide has a molecular weight of 335.42 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 34233996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).