N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide

C17H21NO2S — CID 111825074

IUPACN-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide
SMILESCC(O)(CNC(=O)C(C)(C)c1cccs1)c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-16(2,14-10-7-11-21-14)15(19)18-12-17(3,20)13-8-5-4-6-9-13/h4-11,20H,12H2,1-3H3,(H,18,19)
InChIKeyANZHINMDDSBSNX-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.05
Rot. Bonds5

About N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide

N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide (PubChem CID 111825074) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide
PubChem CID111825074
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide
SMILESCC(O)(CNC(=O)C(C)(C)c1cccs1)c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-16(2,14-10-7-11-21-14)15(19)18-12-17(3,20)13-8-5-4-6-9-13/h4-11,20H,12H2,1-3H3,(H,18,19)
InChIKeyANZHINMDDSBSNX-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]propanoic acid
CID 119249396
N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 111485911
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-(2-amino-2-ethylbutyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 119642853
N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 71972444
N-(2-hydroxy-2-phenylpropyl)-2-thiophen-2-ylacetamide
CID 110663974
5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid
CID 119234391
7-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]heptanoic acid
CID 119227273
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
(E)-N-[(2S)-2-hydroxy-2-phenylpropyl]-3-thiophen-2-ylprop-2-enamide
CID 95367977
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 110698390

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide (CID 111825074) is N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide is CC(O)(CNC(=O)C(C)(C)c1cccs1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide?
The InChIKey is ANZHINMDDSBSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-16(2,14-10-7-11-21-14)15(19)18-12-17(3,20)13-8-5-4-6-9-13/h4-11,20H,12H2,1-3H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide?
N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide has a molecular weight of 303.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 111825074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).