N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide

C17H20FNO2S — CID 71932817

IUPACN-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(OC(C)C)c(F)c2)s1
InChIInChI=1S/C17H20FNO2S/c1-11(2)21-16-7-5-13(8-15(16)18)10-19-17(20)9-14-6-4-12(3)22-14/h4-8,11H,9-10H2,1-3H3,(H,19,20)
InChIKeyQGXKJGGHYIJVDN-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.84
Rot. Bonds6

About N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide

N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide (PubChem CID 71932817) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide
PubChem CID71932817
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC NameN-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(OC(C)C)c(F)c2)s1
InChIInChI=1S/C17H20FNO2S/c1-11(2)21-16-7-5-13(8-15(16)18)10-19-17(20)9-14-6-4-12(3)22-14/h4-8,11H,9-10H2,1-3H3,(H,19,20)
InChIKeyQGXKJGGHYIJVDN-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide
CID 110782111
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
CID 110782122
2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid
CID 98784176
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 98784387
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158215
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 110788935
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 47043670
2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 110782084
2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide
CID 98784381
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide?
The IUPAC name of N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide (CID 71932817) is N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide?
The canonical SMILES for N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide is Cc1ccc(CC(=O)NCc2ccc(OC(C)C)c(F)c2)s1.
What is the InChIKey of N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide?
The InChIKey is QGXKJGGHYIJVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-11(2)21-16-7-5-13(8-15(16)18)10-19-17(20)9-14-6-4-12(3)22-14/h4-8,11H,9-10H2,1-3H3,(H,19,20).
What are the key properties of N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide?
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide is sourced from PubChem (CID 71932817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).