2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide

C15H16FNO2S2 — CID 71781686

IUPAC2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
SMILESCc1ccsc1C(O)CNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S2/c1-10-6-7-20-15(10)13(18)8-17-14(19)9-21-12-4-2-11(16)3-5-12/h2-7,13,18H,8-9H2,1H3,(H,17,19)
InChIKeyZZDHRCKOHYSKGB-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.14
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide (PubChem CID 71781686) has the molecular formula C15H16FNO2S2 and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
PubChem CID71781686
Molecular FormulaC15H16FNO2S2
Molecular Weight325.43 g/mol
Exact Mass325.06
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
SMILESCc1ccsc1C(O)CNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S2/c1-10-6-7-20-15(10)13(18)8-17-14(19)9-21-12-4-2-11(16)3-5-12/h2-7,13,18H,8-9H2,1H3,(H,17,19)
InChIKeyZZDHRCKOHYSKGB-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 71781685
2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110888960
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 110885410
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 71803695
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 103686179
N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
CID 95982626
3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
CID 95366989
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 95982653
N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496902
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 71782115
2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
CID 129373664

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide (CID 71781686) is 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide is Cc1ccsc1C(O)CNC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide?
The InChIKey is ZZDHRCKOHYSKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S2/c1-10-6-7-20-15(10)13(18)8-17-14(19)9-21-12-4-2-11(16)3-5-12/h2-7,13,18H,8-9H2,1H3,(H,17,19).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide has a molecular weight of 325.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide is sourced from PubChem (CID 71781686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).