3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide

C14H13ClN2OS — CID 126058288

IUPAC3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C14H13ClN2OS/c1-9-3-5-11(7-13(9)15)14(18)17-16-8-12-6-4-10(2)19-12/h3-8H,1-2H3,(H,17,18)/b16-8-
InChIKeyNVRQMGYKBUGSAE-PXNMLYILSA-N
MW292.79 g/mol
LogP3.78
Rot. Bonds3

About 3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide

3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 126058288) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
PubChem CID126058288
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C14H13ClN2OS/c1-9-3-5-11(7-13(9)15)14(18)17-16-8-12-6-4-10(2)19-12/h3-8H,1-2H3,(H,17,18)/b16-8-
InChIKeyNVRQMGYKBUGSAE-PXNMLYILSA-N
XLogP3.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.78
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

4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 910371
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
3-bromo-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 681118
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-4-sulfamoylbenzamide
CID 45109579
N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 832654
5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 749495
3-chloro-4-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137261799
2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279
3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 126059607
3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide
CID 1072497

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide (CID 126058288) is 3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N\NC(=O)c2ccc(C)c(Cl)c2)s1.
What is the InChIKey of 3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is NVRQMGYKBUGSAE-PXNMLYILSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-9-3-5-11(7-13(9)15)14(18)17-16-8-12-6-4-10(2)19-12/h3-8H,1-2H3,(H,17,18)/b16-8-.
What are the key properties of 3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 292.79 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 126058288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).