N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide

C12H19NO3S — CID 103602479

IUPACN-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)COCCOC
InChIInChI=1S/C12H19NO3S/c1-3-13(9-11-5-4-8-17-11)12(14)10-16-7-6-15-2/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyDTBGSYFXRYPVHZ-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.76
Rot. Bonds8

About N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide

N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 103602479) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID103602479
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)COCCOC
InChIInChI=1S/C12H19NO3S/c1-3-13(9-11-5-4-8-17-11)12(14)10-16-7-6-15-2/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyDTBGSYFXRYPVHZ-UHFFFAOYSA-N
XLogP1.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 46995819
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61329037
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148
N-ethyl-2-(4-methylcyclohexyl)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 90228031
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 78801765
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 115571943
2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119689999
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
N-ethyl-2-(2-hydroxy-5-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511619
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 103602479) is N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide is CCN(Cc1cccs1)C(=O)COCCOC.
What is the InChIKey of N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DTBGSYFXRYPVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-3-13(9-11-5-4-8-17-11)12(14)10-16-7-6-15-2/h4-5,8H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide?
N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 257.35 g/mol, XLogP of 1.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 103602479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).