N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide

C20H28N2O2S2 — CID 18116583

IUPACN-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NCCSCc1cccs1
InChIInChI=1S/C20H28N2O2S2/c23-18(21-3-5-25-13-17-2-1-4-26-17)12-22-19(24)20-9-14-6-15(10-20)8-16(7-14)11-20/h1-2,4,14-16H,3,5-13H2,(H,21,23)(H,22,24)
InChIKeyJLZHAIOJJXTDOY-UHFFFAOYSA-N
MW392.59 g/mol
LogP3.43
Rot. Bonds8

About N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide

N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide (PubChem CID 18116583) has the molecular formula C20H28N2O2S2 and a molecular weight of 392.59 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide
PubChem CID18116583
Molecular FormulaC20H28N2O2S2
Molecular Weight392.59 g/mol
Exact Mass392.16
IUPAC NameN-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NCCSCc1cccs1
InChIInChI=1S/C20H28N2O2S2/c23-18(21-3-5-25-13-17-2-1-4-26-17)12-22-19(24)20-9-14-6-15(10-20)8-16(7-14)11-20/h1-2,4,14-16H,3,5-13H2,(H,21,23)(H,22,24)
InChIKeyJLZHAIOJJXTDOY-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide
CID 2869572
N-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]adamantane-1-carboxamide
CID 31328827
N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 55865333
1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide
CID 24548909
4-(4-acetylpiperazin-1-yl)-4-oxo-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]butanamide
CID 9472061
2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582665
2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide
CID 47450038
N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 55724914
4-iodo-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46684444
N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 38705329
N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-9H-xanthene-9-carboxamide
CID 7993088

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide (CID 18116583) is N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide is O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NCCSCc1cccs1.
What is the InChIKey of N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide?
The InChIKey is JLZHAIOJJXTDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S2/c23-18(21-3-5-25-13-17-2-1-4-26-17)12-22-19(24)20-9-14-6-15(10-20)8-16(7-14)11-20/h1-2,4,14-16H,3,5-13H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide?
N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide has a molecular weight of 392.59 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 18116583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).