N-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide

C18H21N3O5S — CID 3691691

IUPACN-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cccc(O)c2)cc1C
InChIInChI=1S/C18H21N3O5S/c1-13-9-16(7-8-17(13)26-3)27(24,25)21(2)12-18(23)20-19-11-14-5-4-6-15(22)10-14/h4-11,22H,12H2,1-3H3,(H,20,23)
InChIKeyFJTFKIQJUNGYHA-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.48
Rot. Bonds7

About N-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide

N-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 3691691) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
PubChem CID3691691
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cccc(O)c2)cc1C
InChIInChI=1S/C18H21N3O5S/c1-13-9-16(7-8-17(13)26-3)27(24,25)21(2)12-18(23)20-19-11-14-5-4-6-15(22)10-14/h4-11,22H,12H2,1-3H3,(H,20,23)
InChIKeyFJTFKIQJUNGYHA-UHFFFAOYSA-N
XLogP1.48
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(E)-(4-fluorophenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 92908846
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-[(E)-(2-fluorophenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 92512476
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 6175757
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 6289402
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 92963296
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 135816226
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3251589
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 92511381
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)methylideneamino]acetamide
CID 5217323
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide (CID 3691691) is N-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cccc(O)c2)cc1C.
What is the InChIKey of N-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is FJTFKIQJUNGYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-13-9-16(7-8-17(13)26-3)27(24,25)21(2)12-18(23)20-19-11-14-5-4-6-15(22)10-14/h4-11,22H,12H2,1-3H3,(H,20,23).
What are the key properties of N-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
N-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 391.45 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 3691691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).