2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide

C19H21BrN2OS — CID 2354825

IUPAC2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide
SMILESCCc1ccc(C=NNC(=O)CSc2cc(C)c(Br)cc2C)cc1
InChIInChI=1S/C19H21BrN2OS/c1-4-15-5-7-16(8-6-15)11-21-22-19(23)12-24-18-10-13(2)17(20)9-14(18)3/h5-11H,4,12H2,1-3H3,(H,22,23)
InChIKeyCXUHEMVPIMDNIK-UHFFFAOYSA-N
MW405.36 g/mol
LogP4.87
Rot. Bonds6

About 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide (PubChem CID 2354825) has the molecular formula C19H21BrN2OS and a molecular weight of 405.36 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide
PubChem CID2354825
Molecular FormulaC19H21BrN2OS
Molecular Weight405.36 g/mol
Exact Mass404.06
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide
SMILESCCc1ccc(C=NNC(=O)CSc2cc(C)c(Br)cc2C)cc1
InChIInChI=1S/C19H21BrN2OS/c1-4-15-5-7-16(8-6-15)11-21-22-19(23)12-24-18-10-13(2)17(20)9-14(18)3/h5-11H,4,12H2,1-3H3,(H,22,23)
InChIKeyCXUHEMVPIMDNIK-UHFFFAOYSA-N
XLogP4.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 54.87
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide (CID 2354825) is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide is CCc1ccc(C=NNC(=O)CSc2cc(C)c(Br)cc2C)cc1.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide?
The InChIKey is CXUHEMVPIMDNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2OS/c1-4-15-5-7-16(8-6-15)11-21-22-19(23)12-24-18-10-13(2)17(20)9-14(18)3/h5-11H,4,12H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide?
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide has a molecular weight of 405.36 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(4-ethylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 2354825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).