5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

C12H11NO3S3 — CID 3238829

IUPAC5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc2c(s1)CS(=O)(=O)C2
InChIInChI=1S/C12H11NO3S3/c14-12(13-5-9-2-1-3-17-9)10-4-8-6-19(15,16)7-11(8)18-10/h1-4H,5-7H2,(H,13,14)
InChIKeyYCKKYXCBHXQEON-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.17
Rot. Bonds3

About 5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (PubChem CID 3238829) has the molecular formula C12H11NO3S3 and a molecular weight of 313.43 g/mol. Its IUPAC name is 5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.

Molecular Properties

Compound Name5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
PubChem CID3238829
Molecular FormulaC12H11NO3S3
Molecular Weight313.43 g/mol
Exact Mass312.99
IUPAC Name5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc2c(s1)CS(=O)(=O)C2
InChIInChI=1S/C12H11NO3S3/c14-12(13-5-9-2-1-3-17-9)10-4-8-6-19(15,16)7-11(8)18-10/h1-4H,5-7H2,(H,13,14)
InChIKeyYCKKYXCBHXQEON-UHFFFAOYSA-N
XLogP2.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dichloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 110186920
N-(2-thiophen-2-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 31365053
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 6502784
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 46678082
5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 35008485
7-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3628116
2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62075015
5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 20947625

Frequently Asked Questions

What is the IUPAC name of 5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The IUPAC name of 5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (CID 3238829) is 5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.
What is the SMILES notation for 5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The canonical SMILES for 5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is O=C(NCc1cccs1)c1cc2c(s1)CS(=O)(=O)C2.
What is the InChIKey of 5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The InChIKey is YCKKYXCBHXQEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S3/c14-12(13-5-9-2-1-3-17-9)10-4-8-6-19(15,16)7-11(8)18-10/h1-4H,5-7H2,(H,13,14).
What are the key properties of 5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is sourced from PubChem (CID 3238829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).