N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide

C17H22N2OS — CID 3983394

IUPACN-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide
SMILESCC(=NNC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2OS/c1-11(18-19-16(20)15-3-2-4-21-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14H,5-10H2,1H3,(H,19,20)
InChIKeyDYXMMTQFEOLCRI-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.07
Rot. Bonds3

About N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide

N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide (PubChem CID 3983394) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide
PubChem CID3983394
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide
SMILESCC(=NNC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2OS/c1-11(18-19-16(20)15-3-2-4-21-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14H,5-10H2,1H3,(H,19,20)
InChIKeyDYXMMTQFEOLCRI-UHFFFAOYSA-N
XLogP4.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.07
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-(1-adamantyl)ethylideneamino]benzamide
CID 4099751
N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide
CID 2852529
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide
CID 5391936
N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
CID 6088045
N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 761702
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8529028
N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide
CID 6148191
5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
CID 6309805
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6299285
N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 4667670
N-[1-(4-cyclohexylphenyl)ethylideneamino]thiophene-2-carboxamide
CID 3638697
1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea
CID 95068239

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide (CID 3983394) is N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide is CC(=NNC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide?
The InChIKey is DYXMMTQFEOLCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11(18-19-16(20)15-3-2-4-21-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14H,5-10H2,1H3,(H,19,20).
What are the key properties of N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide?
N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 3983394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).