N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide

C16H15NO2S2 — CID 78967977

IUPACN-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(c1cc2sccc2s1)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H15NO2S2/c18-8-7-17(11-12-4-2-1-3-5-12)16(19)15-10-14-13(21-15)6-9-20-14/h1-6,9-10,18H,7-8,11H2
InChIKeyQBTOUKIZETWPMB-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.60
Rot. Bonds5

About N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide

N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 78967977) has the molecular formula C16H15NO2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID78967977
Molecular FormulaC16H15NO2S2
Molecular Weight317.44 g/mol
Exact Mass317.05
IUPAC NameN-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(c1cc2sccc2s1)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H15NO2S2/c18-8-7-17(11-12-4-2-1-3-5-12)16(19)15-10-14-13(21-15)6-9-20-14/h1-6,9-10,18H,7-8,11H2
InChIKeyQBTOUKIZETWPMB-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 51048620
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745480
N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 112732660
N-(3-hydroxypropyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745102
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N-[(2-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 112732717
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
N-benzyl-3,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 103955560
4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 61107477
N-methyl-N-[3-(methylamino)propyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80733761
N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide
CID 104859435

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide (CID 78967977) is N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide is O=C(c1cc2sccc2s1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is QBTOUKIZETWPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S2/c18-8-7-17(11-12-4-2-1-3-5-12)16(19)15-10-14-13(21-15)6-9-20-14/h1-6,9-10,18H,7-8,11H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide?
N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 78967977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).