2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide

C19H22FNO2S — CID 97428592

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide
SMILESCC[C@@](CNC(=O)CSc1ccc(F)cc1)(OC)c1ccccc1
InChIInChI=1S/C19H22FNO2S/c1-3-19(23-2,15-7-5-4-6-8-15)14-21-18(22)13-24-17-11-9-16(20)10-12-17/h4-12H,3,13-14H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyPKRGBFGAXYZYQJ-IBGZPJMESA-N
MW347.46 g/mol
LogP3.99
Rot. Bonds8

About 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide (PubChem CID 97428592) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide
PubChem CID97428592
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide
SMILESCC[C@@](CNC(=O)CSc1ccc(F)cc1)(OC)c1ccccc1
InChIInChI=1S/C19H22FNO2S/c1-3-19(23-2,15-7-5-4-6-8-15)14-21-18(22)13-24-17-11-9-16(20)10-12-17/h4-12H,3,13-14H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyPKRGBFGAXYZYQJ-IBGZPJMESA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide (CID 97428592) is 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide is CC[C@@](CNC(=O)CSc1ccc(F)cc1)(OC)c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide?
The InChIKey is PKRGBFGAXYZYQJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-3-19(23-2,15-7-5-4-6-8-15)14-21-18(22)13-24-17-11-9-16(20)10-12-17/h4-12H,3,13-14H2,1-2H3,(H,21,22)/t19-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-phenylbutyl]acetamide is sourced from PubChem (CID 97428592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).