2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide

C21H18N2OS2 — CID 174533177

IUPAC2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide
SMILESCCc1ccccc1Sc1c(-c2ccccc2C(N)=O)[nH]c2ccsc12
InChIInChI=1S/C21H18N2OS2/c1-2-13-7-3-6-10-17(13)26-20-18(23-16-11-12-25-19(16)20)14-8-4-5-9-15(14)21(22)24/h3-12,23H,2H2,1H3,(H2,22,24)
InChIKeyLFZQMOVIRRFCIE-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.71
Rot. Bonds5

About 2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide

2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide (PubChem CID 174533177) has the molecular formula C21H18N2OS2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide.

Molecular Properties

Compound Name2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide
PubChem CID174533177
Molecular FormulaC21H18N2OS2
Molecular Weight378.52 g/mol
Exact Mass378.09
IUPAC Name2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide
SMILESCCc1ccccc1Sc1c(-c2ccccc2C(N)=O)[nH]c2ccsc12
InChIInChI=1S/C21H18N2OS2/c1-2-13-7-3-6-10-17(13)26-20-18(23-16-11-12-25-19(16)20)14-8-4-5-9-15(14)21(22)24/h3-12,23H,2H2,1H3,(H2,22,24)
InChIKeyLFZQMOVIRRFCIE-UHFFFAOYSA-N
XLogP5.71
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide
CID 175249422
2-(6-thiophen-2-yl-4H-thieno[3,2-b]pyrrol-5-yl)benzamide
CID 174520036
[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone
CID 174908112
1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 19792412
2-(2-pentylphenyl)benzamide
CID 174986965
2-[2-(methoxymethyl)phenyl]benzamide
CID 130398791
3-ethyl-2-methylsulfonylbenzamide;hydrochloride
CID 122516953
2-(4-oxo-1H-quinolin-3-yl)benzamide
CID 154148110
2,3-diethylbenzamide;hydrofluoride
CID 175203586
2-[2-(sulfanyloxymethyl)phenyl]benzamide
CID 145031545
4-ethyl-2-phenyl-1H-indole-3-carboxamide
CID 71082978
2-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 143596918

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide?
The IUPAC name of 2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide (CID 174533177) is 2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide.
What is the SMILES notation for 2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide?
The canonical SMILES for 2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide is CCc1ccccc1Sc1c(-c2ccccc2C(N)=O)[nH]c2ccsc12.
What is the InChIKey of 2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide?
The InChIKey is LFZQMOVIRRFCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS2/c1-2-13-7-3-6-10-17(13)26-20-18(23-16-11-12-25-19(16)20)14-8-4-5-9-15(14)21(22)24/h3-12,23H,2H2,1H3,(H2,22,24).
What are the key properties of 2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide?
2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide is sourced from PubChem (CID 174533177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).