6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

C15H14N2OS2 — CID 11580316

IUPAC6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCc1ccccc1Sc1c(C(N)=O)[nH]c2ccsc12
InChIInChI=1S/C15H14N2OS2/c1-2-9-5-3-4-6-11(9)20-14-12(15(16)18)17-10-7-8-19-13(10)14/h3-8,17H,2H2,1H3,(H2,16,18)
InChIKeyPTCCVJFAQYJGKI-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.04
Rot. Bonds4

About 6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 11580316) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID11580316
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCc1ccccc1Sc1c(C(N)=O)[nH]c2ccsc12
InChIInChI=1S/C15H14N2OS2/c1-2-9-5-3-4-6-11(9)20-14-12(15(16)18)17-10-7-8-19-13(10)14/h3-8,17H,2H2,1H3,(H2,16,18)
InChIKeyPTCCVJFAQYJGKI-UHFFFAOYSA-N
XLogP4.04
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 11580316) is 6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is CCc1ccccc1Sc1c(C(N)=O)[nH]c2ccsc12.
What is the InChIKey of 6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is PTCCVJFAQYJGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-2-9-5-3-4-6-11(9)20-14-12(15(16)18)17-10-7-8-19-13(10)14/h3-8,17H,2H2,1H3,(H2,16,18).
What are the key properties of 6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 11580316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).