N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide

C17H22N2O2S — CID 2869572

IUPACN'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide
SMILESO=C(Cc1cccs1)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O2S/c20-15(7-14-2-1-3-22-14)18-19-16(21)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,11-13H,4-10H2,(H,18,20)(H,19,21)
InChIKeyNUNNWDDHKJCFTE-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.65
Rot. Bonds3

About N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide

N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide (PubChem CID 2869572) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide
PubChem CID2869572
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide
SMILESO=C(Cc1cccs1)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O2S/c20-15(7-14-2-1-3-22-14)18-19-16(21)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,11-13H,4-10H2,(H,18,20)(H,19,21)
InChIKeyNUNNWDDHKJCFTE-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide
CID 57169097
N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide
CID 18116583
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 52990919
N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride
CID 53350955
2-[2-(2-thiophen-2-ylacetyl)hydrazinyl]acetic acid
CID 19834259
N-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]adamantane-1-carboxamide
CID 31328827
N-[(1S,5S)-9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide
CID 7403451
N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7978653
4-ethyl-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 7910580
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729

Frequently Asked Questions

What is the IUPAC name of N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide?
The IUPAC name of N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide (CID 2869572) is N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide.
What is the SMILES notation for N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide?
The canonical SMILES for N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide is O=C(Cc1cccs1)NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide?
The InChIKey is NUNNWDDHKJCFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c20-15(7-14-2-1-3-22-14)18-19-16(21)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,11-13H,4-10H2,(H,18,20)(H,19,21).
What are the key properties of N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide?
N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide has a molecular weight of 318.44 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide is sourced from PubChem (CID 2869572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).