4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide

C22H25N3O2S — CID 4509992

IUPAC4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
SMILESCSc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C22H25N3O2S/c1-28-20-13-7-16(8-14-20)15-23-25-22(27)18-9-11-19(12-10-18)24-21(26)17-5-3-2-4-6-17/h7-15,17H,2-6H2,1H3,(H,24,26)(H,25,27)
InChIKeyURCGRDKKUSDIEY-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.69
Rot. Bonds6

About 4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide

4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide (PubChem CID 4509992) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
PubChem CID4509992
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
SMILESCSc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C22H25N3O2S/c1-28-20-13-7-16(8-14-20)15-23-25-22(27)18-9-11-19(12-10-18)24-21(26)17-5-3-2-4-6-17/h7-15,17H,2-6H2,1H3,(H,24,26)(H,25,27)
InChIKeyURCGRDKKUSDIEY-UHFFFAOYSA-N
XLogP4.69
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.69
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-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5432749
4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 4509760
N-(4-methylsulfanylphenyl)cyclopentanecarboxamide
CID 9153516
4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 1013453
4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4510231
4-(cyclohexanecarbonylamino)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5432764
4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 913551
N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920978
4-(cyclohexanecarbonylamino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136887197
4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 4509773
4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide
CID 5121259
4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5404625

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide (CID 4509992) is 4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide is CSc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide?
The InChIKey is URCGRDKKUSDIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-28-20-13-7-16(8-14-20)15-23-25-22(27)18-9-11-19(12-10-18)24-21(26)17-5-3-2-4-6-17/h7-15,17H,2-6H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide?
4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide has a molecular weight of 395.53 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4509992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).