N-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide

C17H15NO2S2 — CID 20963432

IUPACN-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3c(s2)-c2ccsc2CC3)o1
InChIInChI=1S/C17H15NO2S2/c1-10-2-4-12(20-10)9-18-17(19)15-8-11-3-5-14-13(6-7-21-14)16(11)22-15/h2,4,6-8H,3,5,9H2,1H3,(H,18,19)
InChIKeyJTPYOAJEYXZSKN-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.41
Rot. Bonds3

About N-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide

N-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide (PubChem CID 20963432) has the molecular formula C17H15NO2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide
PubChem CID20963432
Molecular FormulaC17H15NO2S2
Molecular Weight329.45 g/mol
Exact Mass329.05
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3c(s2)-c2ccsc2CC3)o1
InChIInChI=1S/C17H15NO2S2/c1-10-2-4-12(20-10)9-18-17(19)15-8-11-3-5-14-13(6-7-21-14)16(11)22-15/h2,4,6-8H,3,5,9H2,1H3,(H,18,19)
InChIKeyJTPYOAJEYXZSKN-UHFFFAOYSA-N
XLogP4.41
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide (CID 20963432) is N-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide is Cc1ccc(CNC(=O)c2cc3c(s2)-c2ccsc2CC3)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide?
The InChIKey is JTPYOAJEYXZSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S2/c1-10-2-4-12(20-10)9-18-17(19)15-8-11-3-5-14-13(6-7-21-14)16(11)22-15/h2,4,6-8H,3,5,9H2,1H3,(H,18,19).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide is sourced from PubChem (CID 20963432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).