2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide

C18H20N4O5S — CID 2270842

IUPAC2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide
SMILESCc1ccc(C)c(N(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])S(C)(=O)=O)c1
InChIInChI=1S/C18H20N4O5S/c1-13-8-9-14(2)17(10-13)21(28(3,26)27)12-18(23)20-19-11-15-6-4-5-7-16(15)22(24)25/h4-11H,12H2,1-3H3,(H,20,23)
InChIKeyIZTOSWYXJRKLFU-UHFFFAOYSA-N
MW404.45 g/mol
LogP2.13
Rot. Bonds7

About 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide

2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide (PubChem CID 2270842) has the molecular formula C18H20N4O5S and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide
PubChem CID2270842
Molecular FormulaC18H20N4O5S
Molecular Weight404.45 g/mol
Exact Mass404.12
IUPAC Name2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide
SMILESCc1ccc(C)c(N(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])S(C)(=O)=O)c1
InChIInChI=1S/C18H20N4O5S/c1-13-8-9-14(2)17(10-13)21(28(3,26)27)12-18(23)20-19-11-15-6-4-5-7-16(15)22(24)25/h4-11H,12H2,1-3H3,(H,20,23)
InChIKeyIZTOSWYXJRKLFU-UHFFFAOYSA-N
XLogP2.13
TPSA121.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6877590
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 126033173
2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 5414501
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588805
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 124525683
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 43879026
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
CID 5349202
2-(3,5-dimethylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966519
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(N-methylsulfonylanilino)acetamide
CID 6876829
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 5008415
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide (CID 2270842) is 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide is Cc1ccc(C)c(N(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide?
The InChIKey is IZTOSWYXJRKLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5S/c1-13-8-9-14(2)17(10-13)21(28(3,26)27)12-18(23)20-19-11-15-6-4-5-7-16(15)22(24)25/h4-11H,12H2,1-3H3,(H,20,23).
What are the key properties of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide?
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide has a molecular weight of 404.45 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 2270842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).