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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxypropyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745102
2-methyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-one
CID 115787961
3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 63797282
2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]butanoic acid
CID 80734197
N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 78967977
N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80733761
N-(2-hydroxyethyl)-5-nitro-N-pentan-3-ylthiophene-2-carboxamide
CID 54994566
2-methyl-3-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]propanoic acid
CID 80733667
N-(2-bromoethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide
CID 80671144
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78916963
3,4-dihydroxy-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 107728479

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).