N-benzylthieno[3,2-b]thiophene-5-carboxamide

C14H11NOS2 — CID 2739962

IUPACN-benzylthieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2sccc2s1
InChIInChI=1S/C14H11NOS2/c16-14(15-9-10-4-2-1-3-5-10)13-8-12-11(18-13)6-7-17-12/h1-8H,9H2,(H,15,16)
InChIKeyUOUXYTDNAVQXNV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.89
Rot. Bonds3

About N-benzylthieno[3,2-b]thiophene-5-carboxamide

N-benzylthieno[3,2-b]thiophene-5-carboxamide (PubChem CID 2739962) has the molecular formula C14H11NOS2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-benzylthieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-benzylthieno[3,2-b]thiophene-5-carboxamide
PubChem CID2739962
Molecular FormulaC14H11NOS2
Molecular Weight273.38 g/mol
Exact Mass273.03
IUPAC NameN-benzylthieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2sccc2s1
InChIInChI=1S/C14H11NOS2/c16-14(15-9-10-4-2-1-3-5-10)13-8-12-11(18-13)6-7-17-12/h1-8H,9H2,(H,15,16)
InChIKeyUOUXYTDNAVQXNV-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzylthieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-benzylthieno[3,2-b]thiophene-5-carboxamide (CID 2739962) is N-benzylthieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-benzylthieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-benzylthieno[3,2-b]thiophene-5-carboxamide is O=C(NCc1ccccc1)c1cc2sccc2s1.
What is the InChIKey of N-benzylthieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is UOUXYTDNAVQXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS2/c16-14(15-9-10-4-2-1-3-5-10)13-8-12-11(18-13)6-7-17-12/h1-8H,9H2,(H,15,16).
What are the key properties of N-benzylthieno[3,2-b]thiophene-5-carboxamide?
N-benzylthieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylthieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 2739962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).