N-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

C16H19NO3S — CID 67510666

IUPACN-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)COc1ccc(C)cc1O
InChIInChI=1S/C16H19NO3S/c1-3-17(10-13-5-4-8-21-13)16(19)11-20-15-7-6-12(2)9-14(15)18/h4-9,18H,3,10-11H2,1-2H3
InChIKeyXOZBZAZSYDSGNC-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.19
Rot. Bonds6

About N-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

N-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 67510666) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID67510666
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)COc1ccc(C)cc1O
InChIInChI=1S/C16H19NO3S/c1-3-17(10-13-5-4-8-21-13)16(19)11-20-15-7-6-12(2)9-14(15)18/h4-9,18H,3,10-11H2,1-2H3
InChIKeyXOZBZAZSYDSGNC-UHFFFAOYSA-N
XLogP3.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 67516707
2-(4-methylphenoxy)-N-[(thiophen-2-yl)methyl]acetamide
CID 2092599
N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 67510513
N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510848
N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510929
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-3-ylmethyl)acetamide
CID 67510971
N-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511212
N-ethyl-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511310
2-(4-methylphenoxy)-N-propyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511470
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
N-ethyl-2-(2-hydroxy-5-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511619
2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67512058

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 67510666) is N-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is CCN(Cc1cccs1)C(=O)COc1ccc(C)cc1O.
What is the InChIKey of N-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XOZBZAZSYDSGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-17(10-13-5-4-8-21-13)16(19)11-20-15-7-6-12(2)9-14(15)18/h4-9,18H,3,10-11H2,1-2H3.
What are the key properties of N-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
N-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 305.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 67510666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).