N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide

C17H15NO2S3 — CID 171136775

IUPACN-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCC(O)c1ccc(-c2cccs2)s1
InChIInChI=1S/C17H15NO2S3/c19-13(11-18-17(20)8-5-12-3-1-9-21-12)14-6-7-16(23-14)15-4-2-10-22-15/h1-10,13,19H,11H2,(H,18,20)
InChIKeyOLMJGHXEOIXFBQ-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.40
Rot. Bonds6

About N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide

N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 171136775) has the molecular formula C17H15NO2S3 and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID171136775
Molecular FormulaC17H15NO2S3
Molecular Weight361.51 g/mol
Exact Mass361.03
IUPAC NameN-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCC(O)c1ccc(-c2cccs2)s1
InChIInChI=1S/C17H15NO2S3/c19-13(11-18-17(20)8-5-12-3-1-9-21-12)14-6-7-16(23-14)15-4-2-10-22-15/h1-10,13,19H,11H2,(H,18,20)
InChIKeyOLMJGHXEOIXFBQ-UHFFFAOYSA-N
XLogP4.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 126852656
N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
CID 126850873
(E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 90534684
5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 126852663
methyl 2-hydroxy-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoate
CID 103957996
N-(2-amino-3-methylbutyl)-3-thiophen-2-ylprop-2-enamide
CID 77021858
(E)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-thiophen-2-ylprop-2-enamide
CID 100727589
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide
CID 126852682
(E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 90546808
1-(5-thiophen-2-ylthiophen-2-yl)propan-1-ol
CID 18920444
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 126852668
N-(3-hydroxy-4,4-dimethylpentyl)-3-thiophen-2-ylprop-2-enamide
CID 71960773

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide (CID 171136775) is N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)NCC(O)c1ccc(-c2cccs2)s1.
What is the InChIKey of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is OLMJGHXEOIXFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S3/c19-13(11-18-17(20)8-5-12-3-1-9-21-12)14-6-7-16(23-14)15-4-2-10-22-15/h1-10,13,19H,11H2,(H,18,20).
What are the key properties of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 361.51 g/mol, XLogP of 4.40, 6 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]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 171136775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).