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

C16H20N2O2S — CID 107860731

IUPACN-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CN[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-12(20)18-15-7-8-21-16(15)10-17-14(11-19)9-13-5-3-2-4-6-13/h2-8,14,17,19H,9-11H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyTUIORSZIBVOPBD-CQSZACIVSA-N
MW304.42 g/mol
LogP2.40
Rot. Bonds7

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

N-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide (PubChem CID 107860731) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide
PubChem CID107860731
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CN[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-12(20)18-15-7-8-21-16(15)10-17-14(11-19)9-13-5-3-2-4-6-13/h2-8,14,17,19H,9-11H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyTUIORSZIBVOPBD-CQSZACIVSA-N
XLogP2.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide (CID 107860731) is N-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CN[C@@H](CO)Cc1ccccc1.
What is the InChIKey of N-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide?
The InChIKey is TUIORSZIBVOPBD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(20)18-15-7-8-21-16(15)10-17-14(11-19)9-13-5-3-2-4-6-13/h2-8,14,17,19H,9-11H2,1H3,(H,18,20)/t14-/m1/s1.
What are the key properties of N-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide?
N-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 107860731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).