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

C16H19NO2S — CID 94023398

IUPAC(2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide
SMILESC[C@H](OCc1ccccc1)C(=O)NCCc1ccsc1
InChIInChI=1S/C16H19NO2S/c1-13(19-11-14-5-3-2-4-6-14)16(18)17-9-7-15-8-10-20-12-15/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyAKQVWSRDHHMZKO-ZDUSSCGKSA-N
MW289.40 g/mol
LogP3.01
Rot. Bonds7

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

(2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide (PubChem CID 94023398) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is (2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide
PubChem CID94023398
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name(2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide
SMILESC[C@H](OCc1ccccc1)C(=O)NCCc1ccsc1
InChIInChI=1S/C16H19NO2S/c1-13(19-11-14-5-3-2-4-6-14)16(18)17-9-7-15-8-10-20-12-15/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyAKQVWSRDHHMZKO-ZDUSSCGKSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94775939
(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 51941387
(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide
CID 78971343
benzyl 2-methyl-3-(2-thiophen-3-ylethylamino)propanoate
CID 106483976
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide
CID 47028889
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid
CID 66166214
4-methyl-2-[(2-phenylmethoxypropanoylamino)methyl]pentanoic acid
CID 119252750
2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 47286046
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 39301136

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide?
The IUPAC name of (2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide (CID 94023398) is (2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for (2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide is C[C@H](OCc1ccccc1)C(=O)NCCc1ccsc1.
What is the InChIKey of (2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide?
The InChIKey is AKQVWSRDHHMZKO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-13(19-11-14-5-3-2-4-6-14)16(18)17-9-7-15-8-10-20-12-15/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide?
(2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide has a molecular weight of 289.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 94023398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).