2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide

C13H16N2O2S — CID 120986246

IUPAC2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1csc2ccccc12
InChIInChI=1S/C13H16N2O2S/c1-17-7-11(14)13(16)15-6-9-8-18-12-5-3-2-4-10(9)12/h2-5,8,11H,6-7,14H2,1H3,(H,15,16)
InChIKeyWNYPMPJKDGTTEY-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.49
Rot. Bonds5

About 2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide

2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide (PubChem CID 120986246) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide
PubChem CID120986246
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1csc2ccccc12
InChIInChI=1S/C13H16N2O2S/c1-17-7-11(14)13(16)15-6-9-8-18-12-5-3-2-4-10(9)12/h2-5,8,11H,6-7,14H2,1H3,(H,15,16)
InChIKeyWNYPMPJKDGTTEY-UHFFFAOYSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(1-benzothiophen-3-yl)propanoate;hydrochloride
CID 68769670
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772
3-(1-benzothiophen-3-ylmethylamino)-2-methyl-3-oxopropanoic acid
CID 115164300
N-(1-benzothiophen-3-ylmethyl)-2-cyanobutanamide
CID 115188332
2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120985304
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide
CID 83337824
2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992179
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
CID 68649668
2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120986491
methyl (2R,3S)-2-(1-benzothiophen-3-ylmethylamino)-3-hydroxybutanoate
CID 99834934
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide (CID 120986246) is 2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide is COCC(N)C(=O)NCc1csc2ccccc12.
What is the InChIKey of 2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide?
The InChIKey is WNYPMPJKDGTTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-17-7-11(14)13(16)15-6-9-8-18-12-5-3-2-4-10(9)12/h2-5,8,11H,6-7,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide?
2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide has a molecular weight of 264.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide is sourced from PubChem (CID 120986246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).