2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide

C15H17N3O2S — CID 968305

IUPAC2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCOc1ccccc1NCC(=O)NN=Cc1ccc(C)s1
InChIInChI=1S/C15H17N3O2S/c1-11-7-8-12(21-11)9-17-18-15(19)10-16-13-5-3-4-6-14(13)20-2/h3-9,16H,10H2,1-2H3,(H,18,19)
InChIKeyPCXWWVTXXMZHAD-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.63
Rot. Bonds6

About 2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide

2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 968305) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
PubChem CID968305
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCOc1ccccc1NCC(=O)NN=Cc1ccc(C)s1
InChIInChI=1S/C15H17N3O2S/c1-11-7-8-12(21-11)9-17-18-15(19)10-16-13-5-3-4-6-14(13)20-2/h3-9,16H,10H2,1-2H3,(H,18,19)
InChIKeyPCXWWVTXXMZHAD-UHFFFAOYSA-N
XLogP2.63
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
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)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5404184
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 6910847
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
CID 6910859
2-(3,4-dimethoxyphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 7339025
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135541691
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 171985531
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942
2-(2-methoxyanilino)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 717684
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5401700
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 759194
[2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 7933428

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide (CID 968305) is 2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide is COc1ccccc1NCC(=O)NN=Cc1ccc(C)s1.
What is the InChIKey of 2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is PCXWWVTXXMZHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11-7-8-12(21-11)9-17-18-15(19)10-16-13-5-3-4-6-14(13)20-2/h3-9,16H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide?
2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 968305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).