4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide

C19H19N3O2S — CID 5432749

IUPAC4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
SMILESCSc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-25-17-10-2-13(3-11-17)12-20-22-19(24)15-6-8-16(9-7-15)21-18(23)14-4-5-14/h2-3,6-12,14H,4-5H2,1H3,(H,21,23)(H,22,24)/b20-12+
InChIKeyUWYAFPDESMMIGI-UDWIEESQSA-N
MW353.45 g/mol
LogP3.52
Rot. Bonds6

About 4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide

4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide (PubChem CID 5432749) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
PubChem CID5432749
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
SMILESCSc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-25-17-10-2-13(3-11-17)12-20-22-19(24)15-6-8-16(9-7-15)21-18(23)14-4-5-14/h2-3,6-12,14H,4-5H2,1H3,(H,21,23)(H,22,24)/b20-12+
InChIKeyUWYAFPDESMMIGI-UDWIEESQSA-N
XLogP3.52
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.52
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-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 4509992
N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920978
4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 913551
4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 4509760
4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 920980
4-methoxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5338338
4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5404625
4-(cyclopropanecarbonylamino)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4506667
N-(4-methylsulfanylphenyl)cyclopentanecarboxamide
CID 9153516
4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 60847909
3,4-dimethyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 841000
N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920979

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide (CID 5432749) is 4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide is CSc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
The InChIKey is UWYAFPDESMMIGI-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-25-17-10-2-13(3-11-17)12-20-22-19(24)15-6-8-16(9-7-15)21-18(23)14-4-5-14/h2-3,6-12,14H,4-5H2,1H3,(H,21,23)(H,22,24)/b20-12+.
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide has a molecular weight of 353.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5432749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).