4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide

C20H23N3O2S — CID 4509773

IUPAC4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccsc1C=NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C20H23N3O2S/c1-14-11-12-26-18(14)13-21-23-20(25)16-7-9-17(10-8-16)22-19(24)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,22,24)(H,23,25)
InChIKeyCVARPSYWDQCJHQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.34
Rot. Bonds5

About 4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide

4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 4509773) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
PubChem CID4509773
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccsc1C=NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C20H23N3O2S/c1-14-11-12-26-18(14)13-21-23-20(25)16-7-9-17(10-8-16)22-19(24)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,22,24)(H,23,25)
InChIKeyCVARPSYWDQCJHQ-UHFFFAOYSA-N
XLogP4.34
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.34
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-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide
CID 5121259
4-(cyclohexanecarbonylamino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136887197
4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4510231
4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 4509992
3-methyl-N-[4-[[(3-methylthiophen-2-yl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3304451
(2R)-1-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]piperidine-2-carboxamide
CID 1238328
4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 4509760
4-(cyclohexanecarbonylamino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 1013453
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
4-(cyclohexanecarbonylamino)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5432764
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-pyrrol-1-ylbenzamide
CID 6875100

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide (CID 4509773) is 4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide is Cc1ccsc1C=NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is CVARPSYWDQCJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14-11-12-26-18(14)13-21-23-20(25)16-7-9-17(10-8-16)22-19(24)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide?
4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 369.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 4509773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).