N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide

C18H20ClN3O5S — CID 4261913

IUPACN-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NN=Cc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O5S/c1-22(12-18(23)21-20-11-13-6-4-5-7-15(13)19)28(24,25)17-10-14(26-2)8-9-16(17)27-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyZCKAFHPIQCFFQZ-UHFFFAOYSA-N
MW425.89 g/mol
LogP2.13
Rot. Bonds8

About N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide

N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 4261913) has the molecular formula C18H20ClN3O5S and a molecular weight of 425.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID4261913
Molecular FormulaC18H20ClN3O5S
Molecular Weight425.89 g/mol
Exact Mass425.08
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NN=Cc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O5S/c1-22(12-18(23)21-20-11-13-6-4-5-7-15(13)19)28(24,25)17-10-14(26-2)8-9-16(17)27-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyZCKAFHPIQCFFQZ-UHFFFAOYSA-N
XLogP2.13
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(2,3-dichlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 5042853
N-[(2,4-dichlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 4203841
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 4574084
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 92511381
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 3301873
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135598985
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 5031717
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
CID 92959555
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 93032624
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 126152599
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4689190
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide
CID 6871646

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide (CID 4261913) is N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NN=Cc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is ZCKAFHPIQCFFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5S/c1-22(12-18(23)21-20-11-13-6-4-5-7-15(13)19)28(24,25)17-10-14(26-2)8-9-16(17)27-3/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 425.89 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 4261913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).