2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

C22H21ClN4O3S — CID 126069197

IUPAC2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccn2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C22H21ClN4O3S/c1-17-9-11-20(12-10-17)31(29,30)27(15-18-6-2-3-8-21(18)23)16-22(28)26-25-14-19-7-4-5-13-24-19/h2-14H,15-16H2,1H3,(H,26,28)/b25-14-
InChIKeyBGCNDEYVPGGQGX-QFEZKATASA-N
MW456.96 g/mol
LogP3.38
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 126069197) has the molecular formula C22H21ClN4O3S and a molecular weight of 456.96 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID126069197
Molecular FormulaC22H21ClN4O3S
Molecular Weight456.96 g/mol
Exact Mass456.10
IUPAC Name2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccn2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C22H21ClN4O3S/c1-17-9-11-20(12-10-17)31(29,30)27(15-18-6-2-3-8-21(18)23)16-22(28)26-25-14-19-7-4-5-13-24-19/h2-14H,15-16H2,1H3,(H,26,28)/b25-14-
InChIKeyBGCNDEYVPGGQGX-QFEZKATASA-N
XLogP3.38
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.96
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 6041566
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 126069679
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 126069386
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069248
N-[(Z)-benzylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126067440
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126073131
N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126083141
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 126062087
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4683332
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 126066405
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126078310
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 126065259

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide (CID 126069197) is 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccn2)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is BGCNDEYVPGGQGX-QFEZKATASA-N. The full InChI is InChI=1S/C22H21ClN4O3S/c1-17-9-11-20(12-10-17)31(29,30)27(15-18-6-2-3-8-21(18)23)16-22(28)26-25-14-19-7-4-5-13-24-19/h2-14H,15-16H2,1H3,(H,26,28)/b25-14-.
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide has a molecular weight of 456.96 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 126069197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).