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

C19H12Cl2N2OS2 — CID 175249422

IUPAC2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide
SMILESNC(=O)c1ccccc1-c1[nH]c2ccsc2c1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H12Cl2N2OS2/c20-10-7-11(21)9-12(8-10)26-18-16(23-15-5-6-25-17(15)18)13-3-1-2-4-14(13)19(22)24/h1-9,23H,(H2,22,24)
InChIKeyGBAIVASMXKLDPF-UHFFFAOYSA-N
MW419.36 g/mol
LogP6.45
Rot. Bonds4

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

2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide (PubChem CID 175249422) has the molecular formula C19H12Cl2N2OS2 and a molecular weight of 419.36 g/mol. Its IUPAC name is 2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide.

Molecular Properties

Compound Name2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide
PubChem CID175249422
Molecular FormulaC19H12Cl2N2OS2
Molecular Weight419.36 g/mol
Exact Mass417.98
IUPAC Name2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide
SMILESNC(=O)c1ccccc1-c1[nH]c2ccsc2c1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H12Cl2N2OS2/c20-10-7-11(21)9-12(8-10)26-18-16(23-15-5-6-25-17(15)18)13-3-1-2-4-14(13)19(22)24/h1-9,23H,(H2,22,24)
InChIKeyGBAIVASMXKLDPF-UHFFFAOYSA-N
XLogP6.45
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.36
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(2-ethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide
CID 174533177
2-(6-thiophen-2-yl-4H-thieno[3,2-b]pyrrol-5-yl)benzamide
CID 174520036
6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 11588177
6-(3,5-dimethylphenyl)sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
CID 142758610
2-(2,6-dichlorophenyl)benzamide
CID 67032434
2-(3,5-dichlorophenyl)sulfanyl-3-methylbenzoic acid
CID 112736361
2-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 143596918
7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 67551476
2-(1H-benzimidazol-2-yl)benzamide
CID 23510026
2-(3-amino-4-methylthiophen-2-yl)benzamide
CID 152648724
2-(5-amino-2-chloro-3-fluorophenyl)benzamide
CID 145170413
2-(4-bromophenyl)benzamide
CID 15982087

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide?
The IUPAC name of 2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide (CID 175249422) is 2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide.
What is the SMILES notation for 2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide?
The canonical SMILES for 2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide is NC(=O)c1ccccc1-c1[nH]c2ccsc2c1Sc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide?
The InChIKey is GBAIVASMXKLDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2OS2/c20-10-7-11(21)9-12(8-10)26-18-16(23-15-5-6-25-17(15)18)13-3-1-2-4-14(13)19(22)24/h1-9,23H,(H2,22,24).
What are the key properties of 2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide?
2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide has a molecular weight of 419.36 g/mol, XLogP of 6.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dichlorophenyl)sulfanyl-4H-thieno[3,2-b]pyrrol-5-yl]benzamide is sourced from PubChem (CID 175249422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).