2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide

C19H16N2O3S — CID 5499251

IUPAC2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
SMILESO=C(N/N=C\c1ccsc1)C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H16N2O3S/c22-18(21-20-13-15-11-12-25-14-15)19(23-16-7-3-1-4-8-16)24-17-9-5-2-6-10-17/h1-14,19H,(H,21,22)/b20-13-
InChIKeyJCWOGKPOETWOHM-MOSHPQCFSA-N
MW352.42 g/mol
LogP3.68
Rot. Bonds7

About 2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide

2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide (PubChem CID 5499251) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
PubChem CID5499251
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
SMILESO=C(N/N=C\c1ccsc1)C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H16N2O3S/c22-18(21-20-13-15-11-12-25-14-15)19(23-16-7-3-1-4-8-16)24-17-9-5-2-6-10-17/h1-14,19H,(H,21,22)/b20-13-
InChIKeyJCWOGKPOETWOHM-MOSHPQCFSA-N
XLogP3.68
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
CID 4673369
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
CID 6182256
(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975
N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide
CID 3406373
2-pyridin-1-ium-1-yl-N-[(E)-thiophen-3-ylmethylideneamino]acetamide
CID 15703176
4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide
CID 5155397
4-(2-methylpropanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
CID 4980551
dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea)
CID 86573341
2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 9241892
(2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
CID 5396029
2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide
CID 957194
2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide
CID 4980484

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide?
The IUPAC name of 2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide (CID 5499251) is 2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide is O=C(N/N=C\c1ccsc1)C(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide?
The InChIKey is JCWOGKPOETWOHM-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-18(21-20-13-15-11-12-25-14-15)19(23-16-7-3-1-4-8-16)24-17-9-5-2-6-10-17/h1-14,19H,(H,21,22)/b20-13-.
What are the key properties of 2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide?
2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide has a molecular weight of 352.42 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 5499251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).