2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide

C25H27N3O6S — CID 4689190

IUPAC2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NN=Cc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C25H27N3O6S/c1-28(35(30,31)24-15-21(32-2)12-13-23(24)33-3)17-25(29)27-26-16-20-10-7-11-22(14-20)34-18-19-8-5-4-6-9-19/h4-16H,17-18H2,1-3H3,(H,27,29)
InChIKeyVPFASROEKOGKHC-UHFFFAOYSA-N
MW497.57 g/mol
LogP3.05
Rot. Bonds11

About 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide

2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 4689190) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID4689190
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NN=Cc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C25H27N3O6S/c1-28(35(30,31)24-15-21(32-2)12-13-23(24)33-3)17-25(29)27-26-16-20-10-7-11-22(14-20)34-18-19-8-5-4-6-9-19/h4-16H,17-18H2,1-3H3,(H,27,29)
InChIKeyVPFASROEKOGKHC-UHFFFAOYSA-N
XLogP3.05
TPSA106.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 53.05
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-(2,5-dimethoxyphenyl)sulfonylamino]-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126372209
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 4563517
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
CID 92959555
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135598985
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 92961553
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 92511334
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 93032624
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 92917363
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3330810
N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 4261913
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3251589
N-[(2,3-dichlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 5042853

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide (CID 4689190) is 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide is COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NN=Cc2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is VPFASROEKOGKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-28(35(30,31)24-15-21(32-2)12-13-23(24)33-3)17-25(29)27-26-16-20-10-7-11-22(14-20)34-18-19-8-5-4-6-9-19/h4-16H,17-18H2,1-3H3,(H,27,29).
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide?
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 497.57 g/mol, XLogP of 3.05, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4689190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).