2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide

C18H24N2OS — CID 3309267

IUPAC2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C18H24N2OS/c1-12-2-3-16(22-12)11-19-20-17(21)10-18-7-13-4-14(8-18)6-15(5-13)9-18/h2-3,11,13-15H,4-10H2,1H3,(H,20,21)
InChIKeyBCEUSDZFTBHEPI-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.11
Rot. Bonds4

About 2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide

2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 3309267) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
PubChem CID3309267
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C18H24N2OS/c1-12-2-3-16(22-12)11-19-20-17(21)10-18-7-13-4-14(8-18)6-15(5-13)9-18/h2-3,11,13-15H,4-10H2,1H3,(H,20,21)
InChIKeyBCEUSDZFTBHEPI-UHFFFAOYSA-N
XLogP4.11
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.11
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'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-phenylbutanediamide
CID 6120513
2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide
CID 9122743
2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135816259
2-(1-adamantyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6006199
2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 9122763
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide
CID 5418164
N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide
CID 922314
2-(1-adamantyl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135816260
N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 832654
N-butyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
CID 126010643
cis-(1R,2S)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40528188
2-(1-adamantyl)-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]acetamide
CID 9122728

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide (CID 3309267) is 2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide is Cc1ccc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of 2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is BCEUSDZFTBHEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-12-2-3-16(22-12)11-19-20-17(21)10-18-7-13-4-14(8-18)6-15(5-13)9-18/h2-3,11,13-15H,4-10H2,1H3,(H,20,21).
What are the key properties of 2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide?
2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 316.47 g/mol, XLogP of 4.11, 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-[(5-methylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 3309267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).