N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide

C15H11NO2S3 — CID 80738759

IUPACN-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCc1sccc1C#CCO)c1cc2sccc2s1
InChIInChI=1S/C15H11NO2S3/c17-5-1-2-10-3-6-20-14(10)9-16-15(18)13-8-12-11(21-13)4-7-19-12/h3-4,6-8,17H,5,9H2,(H,16,18)
InChIKeyWZPIRSSJFWKEMB-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.30
Rot. Bonds3

About N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide

N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80738759) has the molecular formula C15H11NO2S3 and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide
PubChem CID80738759
Molecular FormulaC15H11NO2S3
Molecular Weight333.46 g/mol
Exact Mass333.00
IUPAC NameN-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCc1sccc1C#CCO)c1cc2sccc2s1
InChIInChI=1S/C15H11NO2S3/c17-5-1-2-10-3-6-20-14(10)9-16-15(18)13-8-12-11(21-13)4-7-19-12/h3-4,6-8,17H,5,9H2,(H,16,18)
InChIKeyWZPIRSSJFWKEMB-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide with MolForge

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Related Compounds

N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
CID 112732738
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
2-chloro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-methylbenzamide
CID 106862551
5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
CID 104639407
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 78995131
2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid
CID 80733577
N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745874
N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide
CID 78986764
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3,4-dihydroxybenzamide
CID 107728882
N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113258608
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide
CID 107964048

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide (CID 80738759) is N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide is O=C(NCc1sccc1C#CCO)c1cc2sccc2s1.
What is the InChIKey of N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is WZPIRSSJFWKEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S3/c17-5-1-2-10-3-6-20-14(10)9-16-15(18)13-8-12-11(21-13)4-7-19-12/h3-4,6-8,17H,5,9H2,(H,16,18).
What are the key properties of N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide?
N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80738759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).