N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide

C14H17NO2S2 — CID 111451994

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide
SMILESCC(C(=O)NCC(C)(O)c1ccsc1)c1cccs1
InChIInChI=1S/C14H17NO2S2/c1-10(12-4-3-6-19-12)13(16)15-9-14(2,17)11-5-7-18-8-11/h3-8,10,17H,9H2,1-2H3,(H,15,16)
InChIKeyCQFPQJHYOIMRQR-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.94
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide (PubChem CID 111451994) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide
PubChem CID111451994
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide
SMILESCC(C(=O)NCC(C)(O)c1ccsc1)c1cccs1
InChIInChI=1S/C14H17NO2S2/c1-10(12-4-3-6-19-12)13(16)15-9-14(2,17)11-5-7-18-8-11/h3-8,10,17H,9H2,1-2H3,(H,15,16)
InChIKeyCQFPQJHYOIMRQR-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide
CID 111452247
(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111840791
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
2-benzylsulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452281
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide
CID 111720061
N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide
CID 119641253
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate
CID 95933406
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-methylbut-2-enamide
CID 96567087
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
CID 111452322

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide (CID 111451994) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide is CC(C(=O)NCC(C)(O)c1ccsc1)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide?
The InChIKey is CQFPQJHYOIMRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-10(12-4-3-6-19-12)13(16)15-9-14(2,17)11-5-7-18-8-11/h3-8,10,17H,9H2,1-2H3,(H,15,16).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide has a molecular weight of 295.43 g/mol, XLogP of 2.94, 5 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-thiophen-2-ylpropanamide is sourced from PubChem (CID 111451994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).