N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide

C12H13NO2S2 — CID 80744691

IUPACN-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1cc2sccc2s1
InChIInChI=1S/C12H13NO2S2/c1-3-8(14)7(2)13-12(15)11-6-10-9(17-11)4-5-16-10/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyQETHXIVQNSNSAV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.06
Rot. Bonds4

About N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide

N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80744691) has the molecular formula C12H13NO2S2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID80744691
Molecular FormulaC12H13NO2S2
Molecular Weight267.37 g/mol
Exact Mass267.04
IUPAC NameN-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1cc2sccc2s1
InChIInChI=1S/C12H13NO2S2/c1-3-8(14)7(2)13-12(15)11-6-10-9(17-11)4-5-16-10/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyQETHXIVQNSNSAV-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid
CID 80729193
N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745015
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
(2S)-4-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)pentanoic acid
CID 80733410
2-methyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-one
CID 115787961
5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide
CID 64997383
N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744721
(2S)-2-(thieno[3,2-b]thiophene-5-carbonylamino)pentanedioic acid
CID 80733821
N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
CID 114168829
N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
CID 112732738
N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 103856618
N-(2-chloro-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
CID 114168700

Frequently Asked Questions

What is the IUPAC name of N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide (CID 80744691) is N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide is CCC(=O)C(C)NC(=O)c1cc2sccc2s1.
What is the InChIKey of N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is QETHXIVQNSNSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-3-8(14)7(2)13-12(15)11-6-10-9(17-11)4-5-16-10/h4-7H,3H2,1-2H3,(H,13,15).
What are the key properties of N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide?
N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80744691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).