[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate

C24H27NO3S — CID 9017878

IUPAC[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate
SMILESO=C(COC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C24H27NO3S/c26-21(25-22(20-7-4-8-29-20)19-5-2-1-3-6-19)15-28-23(27)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-8,16-18,22H,9-15H2,(H,25,26)/t16?,17?,18?,22-,24?/m1/s1
InChIKeyFBICWYVFNIRGTE-YFZSMNHSSA-N
MW409.55 g/mol
LogP4.71
Rot. Bonds6

About [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate

[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate (PubChem CID 9017878) has the molecular formula C24H27NO3S and a molecular weight of 409.55 g/mol. Its IUPAC name is [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate
PubChem CID9017878
Molecular FormulaC24H27NO3S
Molecular Weight409.55 g/mol
Exact Mass409.17
IUPAC Name[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate
SMILESO=C(COC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C24H27NO3S/c26-21(25-22(20-7-4-8-29-20)19-5-2-1-3-6-19)15-28-23(27)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-8,16-18,22H,9-15H2,(H,25,26)/t16?,17?,18?,22-,24?/m1/s1
InChIKeyFBICWYVFNIRGTE-YFZSMNHSSA-N
XLogP4.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate with MolForge

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Related Compounds

cis-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 9230604
cis-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230605
N-[4-oxo-4-[[phenyl(thiophen-2-yl)methyl]amino]butyl]adamantane-1-carboxamide
CID 24682641
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate
CID 9230022
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (E)-but-2-enoate
CID 9081020
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2,6-difluorobenzoate
CID 46828846
2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46565052
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4-methylphenyl)acetate
CID 46611974
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3,4-difluorobenzoate
CID 9490821

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate?
The IUPAC name of [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate (CID 9017878) is [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate is O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H](c1ccccc1)c1cccs1.
What is the InChIKey of [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate?
The InChIKey is FBICWYVFNIRGTE-YFZSMNHSSA-N. The full InChI is InChI=1S/C24H27NO3S/c26-21(25-22(20-7-4-8-29-20)19-5-2-1-3-6-19)15-28-23(27)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-8,16-18,22H,9-15H2,(H,25,26)/t16?,17?,18?,22-,24?/m1/s1.
What are the key properties of [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate?
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate has a molecular weight of 409.55 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate is sourced from PubChem (CID 9017878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).