N-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

C11H15NO3S2 — CID 20882715

IUPACN-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2c(s1)CS(=O)(=O)C2
InChIInChI=1S/C11H15NO3S2/c1-3-7(2)12-11(13)9-4-8-5-17(14,15)6-10(8)16-9/h4,7H,3,5-6H2,1-2H3,(H,12,13)
InChIKeySBURYSYJXCBGAD-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.70
Rot. Bonds3

About N-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

N-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (PubChem CID 20882715) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
PubChem CID20882715
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC NameN-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2c(s1)CS(=O)(=O)C2
InChIInChI=1S/C11H15NO3S2/c1-3-7(2)12-11(13)9-4-8-5-17(14,15)6-10(8)16-9/h4,7H,3,5-6H2,1-2H3,(H,12,13)
InChIKeySBURYSYJXCBGAD-UHFFFAOYSA-N
XLogP1.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 60629228
N-[(2R)-1-aminopropan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 104872897
N-[(2R)-1-hydroxypropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 79027802
N-(1-bromopropan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114310501
N-(3-oxopentan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 64991578
N-(4-hydroxybutan-2-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 81047317
N-(4-bromobutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 83179713
5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
CID 3238829
N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 78800338
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 2668987
N-(5-bromopentan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 113276054
N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 94116612

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The IUPAC name of N-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (CID 20882715) is N-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is CCC(C)NC(=O)c1cc2c(s1)CS(=O)(=O)C2.
What is the InChIKey of N-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The InChIKey is SBURYSYJXCBGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-3-7(2)12-11(13)9-4-8-5-17(14,15)6-10(8)16-9/h4,7H,3,5-6H2,1-2H3,(H,12,13).
What are the key properties of N-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
N-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is sourced from PubChem (CID 20882715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).