(2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide

C11H17NO2S — CID 94824862

IUPAC(2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide
SMILESCCO[C@@H](C)C(=O)NCc1ccc(C)s1
InChIInChI=1S/C11H17NO2S/c1-4-14-9(3)11(13)12-7-10-6-5-8(2)15-10/h5-6,9H,4,7H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyDCHXWPRWXGEPSM-VIFPVBQESA-N
MW227.33 g/mol
LogP2.10
Rot. Bonds5

About (2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide

(2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide (PubChem CID 94824862) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide
PubChem CID94824862
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name(2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide
SMILESCCO[C@@H](C)C(=O)NCc1ccc(C)s1
InChIInChI=1S/C11H17NO2S/c1-4-14-9(3)11(13)12-7-10-6-5-8(2)15-10/h5-6,9H,4,7H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyDCHXWPRWXGEPSM-VIFPVBQESA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate
CID 2448225
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 6603216
N-[2-(4-morpholinyl)-2-(2-thienyl)ethyl]propanamide
CID 2998106
N-(1-methyl-2-morpholin-4-yl-2-thien-2-ylethyl)propanamide
CID 3245518
2-ethoxy-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide
CID 53546996
N-[2-(5-iodothiophen-2-yl)ethyl]-2-methoxyacetamide
CID 53561842
N1-(1-methoxypropan-2-yl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 44998181
2-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 51074235
8-[(5-Methylthiophen-2-yl)methyl]-1,4,8-oxadiazecan-5-one
CID 110200986
8-[(5-Methylthiophen-2-yl)methyl]-1-oxa-4,8-diazacycloundecan-5-one
CID 110201640
N-(1-thiophen-2-ylpropan-2-yl)oxolane-2-carboxamide
CID 45812883
2-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propanamide
CID 45818566

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of (2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide (CID 94824862) is (2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide is CCO[C@@H](C)C(=O)NCc1ccc(C)s1.
What is the InChIKey of (2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is DCHXWPRWXGEPSM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17NO2S/c1-4-14-9(3)11(13)12-7-10-6-5-8(2)15-10/h5-6,9H,4,7H2,1-3H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide?
(2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 227.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 94824862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).