N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide

C13H15NO2S2 — CID 111452322

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C13H15NO2S2/c1-9-3-6-18-11(9)12(15)14-8-13(2,16)10-4-5-17-7-10/h3-7,16H,8H2,1-2H3,(H,14,15)
InChIKeyZWYQWDWKVYUXSO-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.76
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide (PubChem CID 111452322) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
PubChem CID111452322
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C13H15NO2S2/c1-9-3-6-18-11(9)12(15)14-8-13(2,16)10-4-5-17-7-10/h3-7,16H,8H2,1-2H3,(H,14,15)
InChIKeyZWYQWDWKVYUXSO-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
CID 111452151
(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111840791
2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451668
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111451703
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-methylbut-2-enamide
CID 96567087
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide (CID 111452322) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCC(C)(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide?
The InChIKey is ZWYQWDWKVYUXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-9-3-6-18-11(9)12(15)14-8-13(2,16)10-4-5-17-7-10/h3-7,16H,8H2,1-2H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.76, 4 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)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 111452322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).