N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide

C15H13NO2S3 — CID 126852656

IUPACN-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(O)c1ccc(-c2cccs2)s1)c1cccs1
InChIInChI=1S/C15H13NO2S3/c17-10(9-16-15(18)14-4-2-8-20-14)11-5-6-13(21-11)12-3-1-7-19-12/h1-8,10,17H,9H2,(H,16,18)
InChIKeyDMNIJMPQFMPMRG-UHFFFAOYSA-N
MW335.48 g/mol
LogP4.00
Rot. Bonds5

About N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide

N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 126852656) has the molecular formula C15H13NO2S3 and a molecular weight of 335.48 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID126852656
Molecular FormulaC15H13NO2S3
Molecular Weight335.48 g/mol
Exact Mass335.01
IUPAC NameN-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(O)c1ccc(-c2cccs2)s1)c1cccs1
InChIInChI=1S/C15H13NO2S3/c17-10(9-16-15(18)14-4-2-8-20-14)11-5-6-13(21-11)12-3-1-7-19-12/h1-8,10,17H,9H2,(H,16,18)
InChIKeyDMNIJMPQFMPMRG-UHFFFAOYSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 126852663
N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
CID 126850873
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 171136775
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 126852668
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide
CID 126852682
1-(5-thiophen-2-ylthiophen-2-yl)propan-1-ol
CID 18920444
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 94290696
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 111451534
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
1-(5-thiophen-2-ylthiophen-2-yl)ethanol
CID 14954981

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide (CID 126852656) is N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide is O=C(NCC(O)c1ccc(-c2cccs2)s1)c1cccs1.
What is the InChIKey of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is DMNIJMPQFMPMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S3/c17-10(9-16-15(18)14-4-2-8-20-14)11-5-6-13(21-11)12-3-1-7-19-12/h1-8,10,17H,9H2,(H,16,18).
What are the key properties of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 335.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 126852656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).