2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide

C16H13N3OS — CID 1484943

IUPAC2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1cccs1)c1ccccc1-n1cccc1
InChIInChI=1S/C16H13N3OS/c20-16(18-17-12-13-6-5-11-21-13)14-7-1-2-8-15(14)19-9-3-4-10-19/h1-12H,(H,18,20)
InChIKeyNHCYTOCOOFBVJY-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.30
Rot. Bonds4

About 2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide

2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide (PubChem CID 1484943) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide
PubChem CID1484943
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1cccs1)c1ccccc1-n1cccc1
InChIInChI=1S/C16H13N3OS/c20-16(18-17-12-13-6-5-11-21-13)14-7-1-2-8-15(14)19-9-3-4-10-19/h1-12H,(H,18,20)
InChIKeyNHCYTOCOOFBVJY-UHFFFAOYSA-N
XLogP3.30
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide
CID 1481267
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5394670
N-[(E)-anthracen-9-ylmethylideneamino]-2-pyrrol-1-ylbenzamide
CID 19659641
N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 137151823
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 1484920
2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide
CID 4931437
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 2328373
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005
N-(thiophen-2-ylmethylideneamino)pyridine-2-carboxamide
CID 760257
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555

Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide?
The IUPAC name of 2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide (CID 1484943) is 2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide?
The canonical SMILES for 2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide is O=C(NN=Cc1cccs1)c1ccccc1-n1cccc1.
What is the InChIKey of 2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide?
The InChIKey is NHCYTOCOOFBVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-16(18-17-12-13-6-5-11-21-13)14-7-1-2-8-15(14)19-9-3-4-10-19/h1-12H,(H,18,20).
What are the key properties of 2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide?
2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide has a molecular weight of 295.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 1484943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).