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

C11H17NO2S — CID 94775939

IUPAC(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide
SMILESCCO[C@@H](C)C(=O)NCCc1ccsc1
InChIInChI=1S/C11H17NO2S/c1-3-14-9(2)11(13)12-6-4-10-5-7-15-8-10/h5,7-9H,3-4,6H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyCHODQYAXYGYLNT-VIFPVBQESA-N
MW227.33 g/mol
LogP1.83
Rot. Bonds6

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

(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide (PubChem CID 94775939) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide
PubChem CID94775939
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide
SMILESCCO[C@@H](C)C(=O)NCCc1ccsc1
InChIInChI=1S/C11H17NO2S/c1-3-14-9(2)11(13)12-6-4-10-5-7-15-8-10/h5,7-9H,3-4,6H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyCHODQYAXYGYLNT-VIFPVBQESA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94023398
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
2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide
CID 145215422
4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one
CID 116708679
3-ethoxy-4-methyl-1-thiophen-3-ylpentan-2-one
CID 116708767
4-ethoxy-N-ethyl-1-thiophen-3-ylpentan-3-amine
CID 64535420
(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide
CID 78971343
4-(ethylamino)-N-(2-thiophen-3-ylethyl)benzamide
CID 62173994
(2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 94814042
2,3-dimethyl-4-oxo-4-(thiophen-3-ylmethylamino)butanoic acid
CID 103498386
2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid
CID 61475397

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide?
The IUPAC name of (2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide (CID 94775939) is (2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for (2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide is CCO[C@@H](C)C(=O)NCCc1ccsc1.
What is the InChIKey of (2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide?
The InChIKey is CHODQYAXYGYLNT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-14-9(2)11(13)12-6-4-10-5-7-15-8-10/h5,7-9H,3-4,6H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide?
(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide has a molecular weight of 227.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 94775939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).