N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide

C17H21NO2S — CID 99873830

IUPACN-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide
SMILESC[C@](O)(CCc1ccccc1)CNC(=O)Cc1ccsc1
InChIInChI=1S/C17H21NO2S/c1-17(20,9-7-14-5-3-2-4-6-14)13-18-16(19)11-15-8-10-21-12-15/h2-6,8,10,12,20H,7,9,11,13H2,1H3,(H,18,19)/t17-/m0/s1
InChIKeyVMICEMPCZOETQL-KRWDZBQOSA-N
MW303.43 g/mol
LogP2.79
Rot. Bonds7

About N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide

N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide (PubChem CID 99873830) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide
PubChem CID99873830
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide
SMILESC[C@](O)(CCc1ccccc1)CNC(=O)Cc1ccsc1
InChIInChI=1S/C17H21NO2S/c1-17(20,9-7-14-5-3-2-4-6-14)13-18-16(19)11-15-8-10-21-12-15/h2-6,8,10,12,20H,7,9,11,13H2,1H3,(H,18,19)/t17-/m0/s1
InChIKeyVMICEMPCZOETQL-KRWDZBQOSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide (CID 99873830) is N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide is C[C@](O)(CCc1ccccc1)CNC(=O)Cc1ccsc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide?
The InChIKey is VMICEMPCZOETQL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-17(20,9-7-14-5-3-2-4-6-14)13-18-16(19)11-15-8-10-21-12-15/h2-6,8,10,12,20H,7,9,11,13H2,1H3,(H,18,19)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide?
N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide has a molecular weight of 303.43 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 99873830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).