N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide

C14H11NO2S2 — CID 78986764

IUPACN-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cc2sccc2s1
InChIInChI=1S/C14H11NO2S2/c16-8-9-2-1-3-10(6-9)15-14(17)13-7-12-11(19-13)4-5-18-12/h1-7,16H,8H2,(H,15,17)
InChIKeyKWQXFJXDFQAGKU-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.71
Rot. Bonds3

About N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide

N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 78986764) has the molecular formula C14H11NO2S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide
PubChem CID78986764
Molecular FormulaC14H11NO2S2
Molecular Weight289.38 g/mol
Exact Mass289.02
IUPAC NameN-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cc2sccc2s1
InChIInChI=1S/C14H11NO2S2/c16-8-9-2-1-3-10(6-9)15-14(17)13-7-12-11(19-13)4-5-18-12/h1-7,16H,8H2,(H,15,17)
InChIKeyKWQXFJXDFQAGKU-UHFFFAOYSA-N
XLogP3.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 112733182
N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 112733183
N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80729190
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
N-(3-chloro-4-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 78955049
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
2-methyl-4-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722535
N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113252495
2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide
CID 103605214
N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744719
N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
CID 112732738
5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722230

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide (CID 78986764) is N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide is O=C(Nc1cccc(CO)c1)c1cc2sccc2s1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is KWQXFJXDFQAGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S2/c16-8-9-2-1-3-10(6-9)15-14(17)13-7-12-11(19-13)4-5-18-12/h1-7,16H,8H2,(H,15,17).
What are the key properties of N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide?
N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 78986764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).