N-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

C15H15NO3S2 — CID 3466417

IUPACN-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(s2)CS(=O)C3)cc1
InChIInChI=1S/C15H15NO3S2/c1-19-12-4-2-10(3-5-12)7-16-15(17)13-6-11-8-21(18)9-14(11)20-13/h2-6H,7-9H2,1H3,(H,16,17)
InChIKeyNHMMSFCNBXDWOC-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.45
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

N-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (PubChem CID 3466417) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
PubChem CID3466417
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(s2)CS(=O)C3)cc1
InChIInChI=1S/C15H15NO3S2/c1-19-12-4-2-10(3-5-12)7-16-15(17)13-6-11-8-21(18)9-14(11)20-13/h2-6H,7-9H2,1H3,(H,16,17)
InChIKeyNHMMSFCNBXDWOC-UHFFFAOYSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (CID 3466417) is N-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is COc1ccc(CNC(=O)c2cc3c(s2)CS(=O)C3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The InChIKey is NHMMSFCNBXDWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-19-12-4-2-10(3-5-12)7-16-15(17)13-6-11-8-21(18)9-14(11)20-13/h2-6H,7-9H2,1H3,(H,16,17).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-oxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is sourced from PubChem (CID 3466417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).