2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide

C18H20FNO2S — CID 111433648

IUPAC2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide
SMILESCC(O)CCNC(=O)C(Sc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H20FNO2S/c1-13(21)11-12-20-18(22)17(14-5-3-2-4-6-14)23-16-9-7-15(19)8-10-16/h2-10,13,17,21H,11-12H2,1H3,(H,20,22)
InChIKeyDHAOAICZYQRXBJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.55
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide

2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide (PubChem CID 111433648) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide
PubChem CID111433648
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide
SMILESCC(O)CCNC(=O)C(Sc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H20FNO2S/c1-13(21)11-12-20-18(22)17(14-5-3-2-4-6-14)23-16-9-7-15(19)8-10-16/h2-10,13,17,21H,11-12H2,1H3,(H,20,22)
InChIKeyDHAOAICZYQRXBJ-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-(4-fluorophenyl)sulfanyl-2-phenylacetate
CID 95573889
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
CID 7228798
5-[(2-phenyl-2-phenylsulfanylacetyl)amino]pentanoic acid
CID 119234592
2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide
CID 64912505
N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16547374
N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
CID 120831508
N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 112759820
(2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide
CID 39964892
N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 2914171
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide (CID 111433648) is 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide is CC(O)CCNC(=O)C(Sc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide?
The InChIKey is DHAOAICZYQRXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-13(21)11-12-20-18(22)17(14-5-3-2-4-6-14)23-16-9-7-15(19)8-10-16/h2-10,13,17,21H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide?
2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide has a molecular weight of 333.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide is sourced from PubChem (CID 111433648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).