2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide

C25H27N3O4S — CID 6867768

IUPAC2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCc1cccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)c1C
InChIInChI=1S/C25H27N3O4S/c1-19-10-9-14-23(20(19)2)28(33(3,30)31)17-25(29)27-26-16-22-13-7-8-15-24(22)32-18-21-11-5-4-6-12-21/h4-16H,17-18H2,1-3H3,(H,27,29)/b26-16+
InChIKeyCDIDQVAWDIIBHP-WGOQTCKBSA-N
MW465.58 g/mol
LogP3.80
Rot. Bonds9

About 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide

2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 6867768) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID6867768
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCc1cccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)c1C
InChIInChI=1S/C25H27N3O4S/c1-19-10-9-14-23(20(19)2)28(33(3,30)31)17-25(29)27-26-16-22-13-7-8-15-24(22)32-18-21-11-5-4-6-12-21/h4-16H,17-18H2,1-3H3,(H,27,29)/b26-16+
InChIKeyCDIDQVAWDIIBHP-WGOQTCKBSA-N
XLogP3.80
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.80
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-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6876860
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126191405
2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126034061
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 124534881
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 3618389
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 126189694
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 137150847
2-(2-bromo-N-methylsulfonylanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135890915
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3733371
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126078159
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 98093408

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide (CID 6867768) is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is Cc1cccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)c1C.
What is the InChIKey of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is CDIDQVAWDIIBHP-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-19-10-9-14-23(20(19)2)28(33(3,30)31)17-25(29)27-26-16-22-13-7-8-15-24(22)32-18-21-11-5-4-6-12-21/h4-16H,17-18H2,1-3H3,(H,27,29)/b26-16+.
What are the key properties of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 465.58 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6867768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).