2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide

C12H19NO2S — CID 145215422

IUPAC2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide
SMILESCCOC(C)(C)C(=O)NCCc1ccsc1
InChIInChI=1S/C12H19NO2S/c1-4-15-12(2,3)11(14)13-7-5-10-6-8-16-9-10/h6,8-9H,4-5,7H2,1-3H3,(H,13,14)
InChIKeyABRYRFQJHFBLJX-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.22
Rot. Bonds6

About 2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide

2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide (PubChem CID 145215422) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide
PubChem CID145215422
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide
SMILESCCOC(C)(C)C(=O)NCCc1ccsc1
InChIInChI=1S/C12H19NO2S/c1-4-15-12(2,3)11(14)13-7-5-10-6-8-16-9-10/h6,8-9H,4-5,7H2,1-3H3,(H,13,14)
InChIKeyABRYRFQJHFBLJX-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
CID 81489154
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide
CID 113270556
(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94775939
N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide
CID 170939358
4-(ethylamino)-N-(2-thiophen-3-ylethyl)benzamide
CID 62173994
6-(ethylamino)-N-(2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 62176103
N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide
CID 61477384
2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid
CID 65264366
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
ethyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 64579329

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide?
The IUPAC name of 2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide (CID 145215422) is 2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide is CCOC(C)(C)C(=O)NCCc1ccsc1.
What is the InChIKey of 2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide?
The InChIKey is ABRYRFQJHFBLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-15-12(2,3)11(14)13-7-5-10-6-8-16-9-10/h6,8-9H,4-5,7H2,1-3H3,(H,13,14).
What are the key properties of 2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide?
2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide has a molecular weight of 241.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 145215422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).