4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide

C17H16N2OS — CID 27770345

IUPAC4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H16N2OS/c20-17(18-10-9-16-4-3-13-21-16)14-5-7-15(8-6-14)19-11-1-2-12-19/h1-8,11-13H,9-10H2,(H,18,20)
InChIKeyZBTYLCRWOBJIAQ-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.51
Rot. Bonds5

About 4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide

4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 27770345) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID27770345
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H16N2OS/c20-17(18-10-9-16-4-3-13-21-16)14-5-7-15(8-6-14)19-11-1-2-12-19/h1-8,11-13H,9-10H2,(H,18,20)
InChIKeyZBTYLCRWOBJIAQ-UHFFFAOYSA-N
XLogP3.51
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 17453938
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 9396044
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108542296
4-(2-oxoimidazolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 51074825
4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538421
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide
CID 110742702
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-pyrrol-1-ylbenzamide
CID 108542314

Frequently Asked Questions

What is the IUPAC name of 4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide (CID 27770345) is 4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is ZBTYLCRWOBJIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-17(18-10-9-16-4-3-13-21-16)14-5-7-15(8-6-14)19-11-1-2-12-19/h1-8,11-13H,9-10H2,(H,18,20).
What are the key properties of 4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide?
4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 296.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 27770345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).