3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

C20H17N3O2S — CID 46496179

IUPAC3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3cccs3)c2)cc1
InChIInChI=1S/C20H17N3O2S/c1-14-7-9-15(10-8-14)19(24)22-17-5-2-4-16(12-17)20(25)23-21-13-18-6-3-11-26-18/h2-13H,1H3,(H,22,24)(H,23,25)/b21-13+
InChIKeyCHXMWYVOKASNPR-FYJGNVAPSA-N
MW363.44 g/mol
LogP4.07
Rot. Bonds5

About 3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (PubChem CID 46496179) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
PubChem CID46496179
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3cccs3)c2)cc1
InChIInChI=1S/C20H17N3O2S/c1-14-7-9-15(10-8-14)19(24)22-17-5-2-4-16(12-17)20(25)23-21-13-18-6-3-11-26-18/h2-13H,1H3,(H,22,24)(H,23,25)/b21-13+
InChIKeyCHXMWYVOKASNPR-FYJGNVAPSA-N
XLogP4.07
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
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

4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
CID 24789427
3-chloro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 691642
3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 795193
3-methyl-4-nitro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 4136814
4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 5335033
3-methyl-N-[4-[[(3-methylthiophen-2-yl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3304451
3-benzamido-N-[(E)-benzylideneamino]benzamide
CID 56690708
[2-[[[3-[(4-bromobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 126232158
[2-[[[3-[(4-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126226558
N-(thiophen-2-ylmethylideneamino)-2,1,3-benzoxadiazole-5-carboxamide
CID 2823035
3-nitro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 774214

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The IUPAC name of 3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (CID 46496179) is 3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The canonical SMILES for 3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is Cc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3cccs3)c2)cc1.
What is the InChIKey of 3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The InChIKey is CHXMWYVOKASNPR-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-14-7-9-15(10-8-14)19(24)22-17-5-2-4-16(12-17)20(25)23-21-13-18-6-3-11-26-18/h2-13H,1H3,(H,22,24)(H,23,25)/b21-13+.
What are the key properties of 3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide has a molecular weight of 363.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 46496179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).