4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide

C13H12N2OS — CID 5413555

IUPAC4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C\c2cccs2)cc1
InChIInChI=1S/C13H12N2OS/c1-10-4-6-11(7-5-10)13(16)15-14-9-12-3-2-8-17-12/h2-9H,1H3,(H,15,16)/b14-9-
InChIKeyRLSYPONHVIZWMZ-ZROIWOOFSA-N
MW244.32 g/mol
LogP2.82
Rot. Bonds3

About 4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide

4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide (PubChem CID 5413555) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
PubChem CID5413555
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C\c2cccs2)cc1
InChIInChI=1S/C13H12N2OS/c1-10-4-6-11(7-5-10)13(16)15-14-9-12-3-2-8-17-12/h2-9H,1H3,(H,15,16)/b14-9-
InChIKeyRLSYPONHVIZWMZ-ZROIWOOFSA-N
XLogP2.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 46496179
4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 5335033
3-methyl-4-nitro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 4136814
4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
3-chloro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 691642
3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 795193
N-(thiophen-2-ylmethylideneamino)-2,1,3-benzoxadiazole-5-carboxamide
CID 2823035
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005
N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide
CID 4188286
3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 6911550
4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 42992148
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide (CID 5413555) is 4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide is Cc1ccc(C(=O)N/N=C\c2cccs2)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide?
The InChIKey is RLSYPONHVIZWMZ-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-10-4-6-11(7-5-10)13(16)15-14-9-12-3-2-8-17-12/h2-9H,1H3,(H,15,16)/b14-9-.
What are the key properties of 4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide?
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide has a molecular weight of 244.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 5413555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).