2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide

C23H22FN3O4S — CID 92511334

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCN(CC(=O)N/N=C\c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O4S/c1-27(32(29,30)22-12-10-20(24)11-13-22)16-23(28)26-25-15-19-8-5-9-21(14-19)31-17-18-6-3-2-4-7-18/h2-15H,16-17H2,1H3,(H,26,28)/b25-15-
InChIKeyUAXSHROYYXSVKI-MYYYXRDXSA-N
MW455.51 g/mol
LogP3.18
Rot. Bonds9

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 92511334) has the molecular formula C23H22FN3O4S and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID92511334
Molecular FormulaC23H22FN3O4S
Molecular Weight455.51 g/mol
Exact Mass455.13
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCN(CC(=O)N/N=C\c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O4S/c1-27(32(29,30)22-12-10-20(24)11-13-22)16-23(28)26-25-15-19-8-5-9-21(14-19)31-17-18-6-3-2-4-7-18/h2-15H,16-17H2,1H3,(H,26,28)/b25-15-
InChIKeyUAXSHROYYXSVKI-MYYYXRDXSA-N
XLogP3.18
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.18
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

2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4689190
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126011864
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 92511340
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126062594
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
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
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 126118824
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126375574
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide (CID 92511334) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is CN(CC(=O)N/N=C\c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is UAXSHROYYXSVKI-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H22FN3O4S/c1-27(32(29,30)22-12-10-20(24)11-13-22)16-23(28)26-25-15-19-8-5-9-21(14-19)31-17-18-6-3-2-4-7-18/h2-15H,16-17H2,1H3,(H,26,28)/b25-15-.
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 455.51 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 92511334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).