3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide

C22H25NOS — CID 52990919

IUPAC3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCc1cccs1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H25NOS/c24-20(23-14-19-7-4-8-25-19)22-12-16-9-17(13-22)11-21(10-16,15-22)18-5-2-1-3-6-18/h1-8,16-17H,9-15H2,(H,23,24)
InChIKeyMAYLLHRPGIBTNJ-UHFFFAOYSA-N
MW351.51 g/mol
LogP4.90
Rot. Bonds4

About 3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide

3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide (PubChem CID 52990919) has the molecular formula C22H25NOS and a molecular weight of 351.51 g/mol. Its IUPAC name is 3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
PubChem CID52990919
Molecular FormulaC22H25NOS
Molecular Weight351.51 g/mol
Exact Mass351.17
IUPAC Name3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCc1cccs1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H25NOS/c24-20(23-14-19-7-4-8-25-19)22-12-16-9-17(13-22)11-21(10-16,15-22)18-5-2-1-3-6-18/h1-8,16-17H,9-15H2,(H,23,24)
InChIKeyMAYLLHRPGIBTNJ-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
(5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide
CID 98185678
(5S,7S)-N-[(3,4-dimethoxyphenyl)methyl]-3-phenyladamantane-1-carboxamide
CID 98367386
(5S,7S)-3-phenyladamantane-1-carboxylic acid
CID 98062703
1-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 2517264
(5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide
CID 39898183
3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide
CID 51109928
1-(thiophen-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096590
(7S)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
CID 71587865
2-(methylamino)-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone
CID 98161313
(2-amino-2-oxoethyl) (5S,7S)-3-phenyladamantane-1-carboxylate
CID 98406265
(5S,7R)-N-(1-adamantylmethyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 7312500

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of 3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide (CID 52990919) is 3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for 3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for 3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide is O=C(NCc1cccs1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
The InChIKey is MAYLLHRPGIBTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NOS/c24-20(23-14-19-7-4-8-25-19)22-12-16-9-17(13-22)11-21(10-16,15-22)18-5-2-1-3-6-18/h1-8,16-17H,9-15H2,(H,23,24).
What are the key properties of 3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide has a molecular weight of 351.51 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 52990919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).