N-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide

C15H17N3O4S — CID 28589064

IUPACN-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)N/N=C\c2ccco2)S(C)(=O)=O)c1
InChIInChI=1S/C15H17N3O4S/c1-12-5-3-6-13(9-12)18(23(2,20)21)11-15(19)17-16-10-14-7-4-8-22-14/h3-10H,11H2,1-2H3,(H,17,19)/b16-10-
InChIKeyGANZWBFHHPFVGD-YBEGLDIGSA-N
MW335.39 g/mol
LogP1.50
Rot. Bonds6

About N-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide

N-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 28589064) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
PubChem CID28589064
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)N/N=C\c2ccco2)S(C)(=O)=O)c1
InChIInChI=1S/C15H17N3O4S/c1-12-5-3-6-13(9-12)18(23(2,20)21)11-15(19)17-16-10-14-7-4-8-22-14/h3-10H,11H2,1-2H3,(H,17,19)/b16-10-
InChIKeyGANZWBFHHPFVGD-YBEGLDIGSA-N
XLogP1.50
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.50
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

N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589040
2-(3-bromo-N-methylsulfonylanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 28589140
2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879603
N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217869
2-(N-methylsulfonylanilino)-N-[(E)-[4-[(E)-[[2-(N-methylsulfonylanilino)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 16761126
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589050
N-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 94838512
N-[(4-tert-butylphenyl)methylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 2467181
4-[(E)-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 43879731
2-(3-methyl-N-methylsulfonylanilino)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
CID 92660635
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589076
N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 3289300

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide (CID 28589064) is N-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide is Cc1cccc(N(CC(=O)N/N=C\c2ccco2)S(C)(=O)=O)c1.
What is the InChIKey of N-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is GANZWBFHHPFVGD-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-12-5-3-6-13(9-12)18(23(2,20)21)11-15(19)17-16-10-14-7-4-8-22-14/h3-10H,11H2,1-2H3,(H,17,19)/b16-10-.
What are the key properties of N-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
N-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 335.39 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 28589064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).