N-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide

C16H19NO3S — CID 67511677

IUPACN-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C16H19NO3S/c1-3-17(11-15-5-4-10-21-15)16(18)12-20-14-8-6-13(19-2)7-9-14/h4-10H,3,11-12H2,1-2H3
InChIKeyMQBYBVVPPDOFPT-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.18
Rot. Bonds7

About N-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide

N-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 67511677) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID67511677
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C16H19NO3S/c1-3-17(11-15-5-4-10-21-15)16(18)12-20-14-8-6-13(19-2)7-9-14/h4-10H,3,11-12H2,1-2H3
InChIKeyMQBYBVVPPDOFPT-UHFFFAOYSA-N
XLogP3.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 67511677) is N-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide is CCN(Cc1cccs1)C(=O)COc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MQBYBVVPPDOFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-17(11-15-5-4-10-21-15)16(18)12-20-14-8-6-13(19-2)7-9-14/h4-10H,3,11-12H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
N-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 305.40 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 67511677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).