N-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide

C19H26N2O2S — CID 35617769

IUPACN-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O2S/c22-17(12-21-18(23)16-2-1-5-24-16)20-4-3-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-2,5,13-15H,3-4,6-12H2,(H,20,22)(H,21,23)
InChIKeySEAUATUYVOPROF-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.20
Rot. Bonds6

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

N-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 35617769) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID35617769
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O2S/c22-17(12-21-18(23)16-2-1-5-24-16)20-4-3-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-2,5,13-15H,3-4,6-12H2,(H,20,22)(H,21,23)
InChIKeySEAUATUYVOPROF-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26878730
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
N-[2-(1-adamantyl)ethyl]-2-(methylamino)acetamide
CID 119679471
(2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid
CID 107834928
N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide
CID 26444525
N-[2-(1-adamantyl)ethyl]-2-iodobenzamide
CID 23968567
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445135
N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 111471983
cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676600
N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 2921835
2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid
CID 66165843

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 35617769) is N-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is SEAUATUYVOPROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c22-17(12-21-18(23)16-2-1-5-24-16)20-4-3-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-2,5,13-15H,3-4,6-12H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 35617769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).