N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide

C13H15NO2S2 — CID 80745874

IUPACN-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)c1cc2sccc2s1
InChIInChI=1S/C13H15NO2S2/c1-13(2,3)11(15)7-14-12(16)10-6-9-8(18-10)4-5-17-9/h4-6H,7H2,1-3H3,(H,14,16)
InChIKeyAKVMGFGIGZBFCN-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.31
Rot. Bonds3

About N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide

N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80745874) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID80745874
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)c1cc2sccc2s1
InChIInChI=1S/C13H15NO2S2/c1-13(2,3)11(15)7-14-12(16)10-6-9-8(18-10)4-5-17-9/h4-6H,7H2,1-3H3,(H,14,16)
InChIKeyAKVMGFGIGZBFCN-UHFFFAOYSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid
CID 80733577
N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
CID 112732738
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113239558
N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744721
2-ethyl-2-[(thieno[3,2-b]thiophene-5-carbonylamino)methyl]butanoic acid
CID 115429647
N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
CID 114168829
3-[tert-butyl(thieno[3,2-b]thiophene-5-carbonyl)amino]propanoic acid
CID 80734116
N-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745910
N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745015
N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113258608

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide (CID 80745874) is N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide is CC(C)(C)C(=O)CNC(=O)c1cc2sccc2s1.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is AKVMGFGIGZBFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-13(2,3)11(15)7-14-12(16)10-6-9-8(18-10)4-5-17-9/h4-6H,7H2,1-3H3,(H,14,16).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide?
N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80745874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).