2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide

C18H23ClN2OS — CID 6385587

IUPAC2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)s1
InChIInChI=1S/C18H23ClN2OS/c1-11(15-2-3-16(19)23-15)20-21-17(22)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h2-3,12-14H,4-10H2,1H3,(H,21,22)/b20-11-
InChIKeyGGTZHANJBWBYEM-JAIQZWGSSA-N
MW350.92 g/mol
LogP4.85
Rot. Bonds4

About 2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide

2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide (PubChem CID 6385587) has the molecular formula C18H23ClN2OS and a molecular weight of 350.92 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
PubChem CID6385587
Molecular FormulaC18H23ClN2OS
Molecular Weight350.92 g/mol
Exact Mass350.12
IUPAC Name2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)s1
InChIInChI=1S/C18H23ClN2OS/c1-11(15-2-3-16(19)23-15)20-21-17(22)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h2-3,12-14H,4-10H2,1H3,(H,21,22)/b20-11-
InChIKeyGGTZHANJBWBYEM-JAIQZWGSSA-N
XLogP4.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide
CID 4604859
[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
CID 5354251
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide
CID 6176137
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883245
2-(benzenesulfonamido)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 9236552
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5407788
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 6053802
2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 3309267
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 11992296
2-(benzotriazol-1-yl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 6165268
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide
CID 4284947
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 4989244

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide (CID 6385587) is 2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide is C/C(=N/NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)s1.
What is the InChIKey of 2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide?
The InChIKey is GGTZHANJBWBYEM-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H23ClN2OS/c1-11(15-2-3-16(19)23-15)20-21-17(22)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h2-3,12-14H,4-10H2,1H3,(H,21,22)/b20-11-.
What are the key properties of 2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide?
2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide has a molecular weight of 350.92 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 6385587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).