N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide

C15H18N2OS — CID 81350667

IUPACN-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CN[C@H](C)c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-11(13-6-4-3-5-7-13)16-10-15-14(8-9-19-15)17-12(2)18/h3-9,11,16H,10H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyRODBIAJHHDNSJD-LLVKDONJSA-N
MW274.39 g/mol
LogP3.56
Rot. Bonds5

About N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide

N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide (PubChem CID 81350667) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide
PubChem CID81350667
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CN[C@H](C)c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-11(13-6-4-3-5-7-13)16-10-15-14(8-9-19-15)17-12(2)18/h3-9,11,16H,10H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyRODBIAJHHDNSJD-LLVKDONJSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide
CID 66387309
N-[2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-3-yl]acetamide
CID 79254280
N-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide
CID 107860731
N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385102
N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 113376055
N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide
CID 66386116
N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66387613
N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
CID 106159011
N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386592
N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide
CID 79101536
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide (CID 81350667) is N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CN[C@H](C)c1ccccc1.
What is the InChIKey of N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide?
The InChIKey is RODBIAJHHDNSJD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11(13-6-4-3-5-7-13)16-10-15-14(8-9-19-15)17-12(2)18/h3-9,11,16H,10H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide?
N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide has a molecular weight of 274.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 81350667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).