N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide

C16H19NO2S — CID 47450824

IUPACN-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(OCC(C)NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C16H19NO2S/c1-12-5-7-14(8-6-12)19-11-13(2)17-16(18)10-15-4-3-9-20-15/h3-9,13H,10-11H2,1-2H3,(H,17,18)
InChIKeyTXCJSZYDMPYORQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.18
Rot. Bonds6

About N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide

N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 47450824) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide
PubChem CID47450824
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(OCC(C)NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C16H19NO2S/c1-12-5-7-14(8-6-12)19-11-13(2)17-16(18)10-15-4-3-9-20-15/h3-9,13H,10-11H2,1-2H3,(H,17,18)
InChIKeyTXCJSZYDMPYORQ-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
CID 114299702
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
2-(2-chlorophenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 133166961
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132650444
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide
CID 62092047
N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 47007711
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 94182945
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide (CID 47450824) is N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide is Cc1ccc(OCC(C)NC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is TXCJSZYDMPYORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-5-7-14(8-6-12)19-11-13(2)17-16(18)10-15-4-3-9-20-15/h3-9,13H,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide?
N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 289.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 47450824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).