N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide

C14H19NO2S2 — CID 80745480

IUPACN-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide
SMILESCCC(CC)N(CCO)C(=O)c1cc2sccc2s1
InChIInChI=1S/C14H19NO2S2/c1-3-10(4-2)15(6-7-16)14(17)13-9-12-11(19-13)5-8-18-12/h5,8-10,16H,3-4,6-7H2,1-2H3
InChIKeyIENOERRZXAXZQW-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.59
Rot. Bonds6

About N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide

N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80745480) has the molecular formula C14H19NO2S2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide
PubChem CID80745480
Molecular FormulaC14H19NO2S2
Molecular Weight297.44 g/mol
Exact Mass297.09
IUPAC NameN-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide
SMILESCCC(CC)N(CCO)C(=O)c1cc2sccc2s1
InChIInChI=1S/C14H19NO2S2/c1-3-10(4-2)15(6-7-16)14(17)13-9-12-11(19-13)5-8-18-12/h5,8-10,16H,3-4,6-7H2,1-2H3
InChIKeyIENOERRZXAXZQW-UHFFFAOYSA-N
XLogP3.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide (CID 80745480) is N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide is CCC(CC)N(CCO)C(=O)c1cc2sccc2s1.
What is the InChIKey of N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is IENOERRZXAXZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S2/c1-3-10(4-2)15(6-7-16)14(17)13-9-12-11(19-13)5-8-18-12/h5,8-10,16H,3-4,6-7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide?
N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80745480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).