N-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide

C14H12N2O2S — CID 36704821

IUPACN-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccsc2[nH]1
InChIInChI=1S/C14H12N2O2S/c1-18-12-5-3-2-4-10(12)15-13(17)11-8-9-6-7-19-14(9)16-11/h2-8,16H,1H3,(H,15,17)
InChIKeySTXVUFHCSIFGHD-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.49
Rot. Bonds3

About N-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide

N-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 36704821) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID36704821
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccsc2[nH]1
InChIInChI=1S/C14H12N2O2S/c1-18-12-5-3-2-4-10(12)15-13(17)11-8-9-6-7-19-14(9)16-11/h2-8,16H,1H3,(H,15,17)
InChIKeySTXVUFHCSIFGHD-UHFFFAOYSA-N
XLogP3.49
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide (CID 36704821) is N-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide is COc1ccccc1NC(=O)c1cc2ccsc2[nH]1.
What is the InChIKey of N-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is STXVUFHCSIFGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-18-12-5-3-2-4-10(12)15-13(17)11-8-9-6-7-19-14(9)16-11/h2-8,16H,1H3,(H,15,17).
What are the key properties of N-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide?
N-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-6H-thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 36704821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).