N-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C15H12N2O3S — CID 653902

IUPACN-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2sccc21
InChIInChI=1S/C15H12N2O3S/c1-17-10-4-5-21-14(10)7-11(17)15(18)16-9-2-3-12-13(6-9)20-8-19-12/h2-7H,8H2,1H3,(H,16,18)
InChIKeyKKJIECGDFVUIQK-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.22
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 653902) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID653902
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2sccc21
InChIInChI=1S/C15H12N2O3S/c1-17-10-4-5-21-14(10)7-11(17)15(18)16-9-2-3-12-13(6-9)20-8-19-12/h2-7H,8H2,1H3,(H,16,18)
InChIKeyKKJIECGDFVUIQK-UHFFFAOYSA-N
XLogP3.22
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 653902) is N-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2sccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is KKJIECGDFVUIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-17-10-4-5-21-14(10)7-11(17)15(18)16-9-2-3-12-13(6-9)20-8-19-12/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 653902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).