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

C17H16N2OS — CID 17453938

IUPAC3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H16N2OS/c20-17(18-9-8-16-7-4-12-21-16)14-5-3-6-15(13-14)19-10-1-2-11-19/h1-7,10-13H,8-9H2,(H,18,20)
InChIKeyNHSWPKAYBCZPQO-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.51
Rot. Bonds5

About 3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide

3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 17453938) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID17453938
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H16N2OS/c20-17(18-9-8-16-7-4-12-21-16)14-5-3-6-15(13-14)19-10-1-2-11-19/h1-7,10-13H,8-9H2,(H,18,20)
InChIKeyNHSWPKAYBCZPQO-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

4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide
CID 110356799
N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide
CID 110617094
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide
CID 86972966
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945
N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 46287294
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200
N-prop-2-enyl-3-pyrrol-1-ylbenzamide
CID 35154530

Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide (CID 17453938) is 3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1cccc(-n2cccc2)c1.
What is the InChIKey of 3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is NHSWPKAYBCZPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-17(18-9-8-16-7-4-12-21-16)14-5-3-6-15(13-14)19-10-1-2-11-19/h1-7,10-13H,8-9H2,(H,18,20).
What are the key properties of 3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide?
3-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 3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 17453938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).