2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide

C20H18FNO2S — CID 99882769

IUPAC2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1ccc([C@H](O)c2ccccc2)s1
InChIInChI=1S/C20H18FNO2S/c21-16-8-6-14(7-9-16)12-19(23)22-13-17-10-11-18(25-17)20(24)15-4-2-1-3-5-15/h1-11,20,24H,12-13H2,(H,22,23)/t20-/m1/s1
InChIKeySUWBWNPMSZMIKO-HXUWFJFHSA-N
MW355.43 g/mol
LogP3.83
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide

2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide (PubChem CID 99882769) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide
PubChem CID99882769
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC Name2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1ccc([C@H](O)c2ccccc2)s1
InChIInChI=1S/C20H18FNO2S/c21-16-8-6-14(7-9-16)12-19(23)22-13-17-10-11-18(25-17)20(24)15-4-2-1-3-5-15/h1-11,20,24H,12-13H2,(H,22,23)/t20-/m1/s1
InChIKeySUWBWNPMSZMIKO-HXUWFJFHSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide (CID 99882769) is 2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide is O=C(Cc1ccc(F)cc1)NCc1ccc([C@H](O)c2ccccc2)s1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is SUWBWNPMSZMIKO-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H18FNO2S/c21-16-8-6-14(7-9-16)12-19(23)22-13-17-10-11-18(25-17)20(24)15-4-2-1-3-5-15/h1-11,20,24H,12-13H2,(H,22,23)/t20-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide?
2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 355.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 99882769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).