2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

C14H15N3O2S — CID 5427947

IUPAC2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESCOc1ccc(NCC(=O)N/N=C\c2cccs2)cc1
InChIInChI=1S/C14H15N3O2S/c1-19-12-6-4-11(5-7-12)15-10-14(18)17-16-9-13-3-2-8-20-13/h2-9,15H,10H2,1H3,(H,17,18)/b16-9-
InChIKeyALWOAPDTDZZVRX-SXGWCWSVSA-N
MW289.36 g/mol
LogP2.32
Rot. Bonds6

About 2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 5427947) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID5427947
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESCOc1ccc(NCC(=O)N/N=C\c2cccs2)cc1
InChIInChI=1S/C14H15N3O2S/c1-19-12-6-4-11(5-7-12)15-10-14(18)17-16-9-13-3-2-8-20-13/h2-9,15H,10H2,1H3,(H,17,18)/b16-9-
InChIKeyALWOAPDTDZZVRX-SXGWCWSVSA-N
XLogP2.32
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
CID 7976856
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 15703243
2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 1243754
2-(4-methoxyanilino)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5427968
2-[4-[(Z)-[[2-(4-methoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 7933088
2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 4628921
2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5416726
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 767055
4-methoxy-N-[5-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 6883663
N-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721
2-anilino-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662896

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (CID 5427947) is 2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is COc1ccc(NCC(=O)N/N=C\c2cccs2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is ALWOAPDTDZZVRX-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-19-12-6-4-11(5-7-12)15-10-14(18)17-16-9-13-3-2-8-20-13/h2-9,15H,10H2,1H3,(H,17,18)/b16-9-.
What are the key properties of 2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 289.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5427947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).