N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide

C17H21NO2S2 — CID 111720061

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(CSc1ccccc1)C(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C17H21NO2S2/c1-13(10-22-15-6-4-3-5-7-15)16(19)18-12-17(2,20)14-8-9-21-11-14/h3-9,11,13,20H,10,12H2,1-2H3,(H,18,19)
InChIKeyOFJPRMXBONWGQF-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.50
Rot. Bonds7

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide (PubChem CID 111720061) has the molecular formula C17H21NO2S2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide
PubChem CID111720061
Molecular FormulaC17H21NO2S2
Molecular Weight335.49 g/mol
Exact Mass335.10
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(CSc1ccccc1)C(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C17H21NO2S2/c1-13(10-22-15-6-4-3-5-7-15)16(19)18-12-17(2,20)14-8-9-21-11-14/h3-9,11,13,20H,10,12H2,1-2H3,(H,18,19)
InChIKeyOFJPRMXBONWGQF-UHFFFAOYSA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452281
(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111840791
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide
CID 111451994
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide
CID 111452247
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 111452114
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide
CID 111451848
3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111519812
2,2-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)cyclopropane-1-carboxamide
CID 71979797

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide (CID 111720061) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide is CC(CSc1ccccc1)C(=O)NCC(C)(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide?
The InChIKey is OFJPRMXBONWGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S2/c1-13(10-22-15-6-4-3-5-7-15)16(19)18-12-17(2,20)14-8-9-21-11-14/h3-9,11,13,20H,10,12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide has a molecular weight of 335.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 111720061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).