2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide

C25H26ClN3O6S — CID 126125509

IUPAC2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C25H26ClN3O6S/c1-33-22-14-11-19(24(34-2)25(22)35-3)15-27-28-23(30)17-29(16-18-9-12-20(26)13-10-18)36(31,32)21-7-5-4-6-8-21/h4-15H,16-17H2,1-3H3,(H,28,30)/b27-15-
InChIKeyRXKLVSLSQHGOJD-DICXZTSXSA-N
MW532.02 g/mol
LogP3.71
Rot. Bonds11

About 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide

2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 126125509) has the molecular formula C25H26ClN3O6S and a molecular weight of 532.02 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID126125509
Molecular FormulaC25H26ClN3O6S
Molecular Weight532.02 g/mol
Exact Mass531.12
IUPAC Name2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C25H26ClN3O6S/c1-33-22-14-11-19(24(34-2)25(22)35-3)15-27-28-23(30)17-29(16-18-9-12-20(26)13-10-18)36(31,32)21-7-5-4-6-8-21/h4-15H,16-17H2,1-3H3,(H,28,30)/b27-15-
InChIKeyRXKLVSLSQHGOJD-DICXZTSXSA-N
XLogP3.71
TPSA106.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.02
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 126126793
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 92511648
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 3750829
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 126376173
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 3136727
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 126067134
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135671839
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 126017078
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 25251457
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 126067540
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 3901932
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6884239

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide (CID 126125509) is 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(OC)c1OC.
What is the InChIKey of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is RXKLVSLSQHGOJD-DICXZTSXSA-N. The full InChI is InChI=1S/C25H26ClN3O6S/c1-33-22-14-11-19(24(34-2)25(22)35-3)15-27-28-23(30)17-29(16-18-9-12-20(26)13-10-18)36(31,32)21-7-5-4-6-8-21/h4-15H,16-17H2,1-3H3,(H,28,30)/b27-15-.
What are the key properties of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 532.02 g/mol, XLogP of 3.71, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126125509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).