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

C21H20ClN3O4S — CID 126069386

IUPAC2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccco2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C21H20ClN3O4S/c1-16-8-10-19(11-9-16)30(27,28)25(14-17-5-2-3-7-20(17)22)15-21(26)24-23-13-18-6-4-12-29-18/h2-13H,14-15H2,1H3,(H,24,26)/b23-13-
InChIKeyFHCHSBMSOCFRKF-QRVIBDJDSA-N
MW445.93 g/mol
LogP3.58
Rot. Bonds8

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

2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide (PubChem CID 126069386) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
PubChem CID126069386
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC Name2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccco2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C21H20ClN3O4S/c1-16-8-10-19(11-9-16)30(27,28)25(14-17-5-2-3-7-20(17)22)15-21(26)24-23-13-18-6-4-12-29-18/h2-13H,14-15H2,1H3,(H,24,26)/b23-13-
InChIKeyFHCHSBMSOCFRKF-QRVIBDJDSA-N
XLogP3.58
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 53.58
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)-pyridin-2-ylmethylideneamino]acetamide
CID 126069197
N-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 3130105
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
4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6139507
N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126083141
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 28588594
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide (CID 126069386) is 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccco2)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The InChIKey is FHCHSBMSOCFRKF-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c1-16-8-10-19(11-9-16)30(27,28)25(14-17-5-2-3-7-20(17)22)15-21(26)24-23-13-18-6-4-12-29-18/h2-13H,14-15H2,1H3,(H,24,26)/b23-13-.
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide has a molecular weight of 445.93 g/mol, XLogP of 3.58, 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)-furan-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 126069386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).