2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide

C18H25NOS — CID 91580682

IUPAC2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25NOS/c1-12(17(20)19-11-16-3-2-4-21-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,12-15H,5-11H2,1H3,(H,19,20)
InChIKeyQFVNETSHPXYCJG-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.22
Rot. Bonds4

About 2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide

2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 91580682) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID91580682
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25NOS/c1-12(17(20)19-11-16-3-2-4-21-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,12-15H,5-11H2,1H3,(H,19,20)
InChIKeyQFVNETSHPXYCJG-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-hydroxyadamantane-1-carboxylate
CID 18091698
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
(2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 99632804
2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 115187274
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498
(2R)-2-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 9444129
(2S)-2-(4-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 27070191
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide (CID 91580682) is 2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide is CC(C(=O)NCc1cccs1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is QFVNETSHPXYCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-12(17(20)19-11-16-3-2-4-21-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,12-15H,5-11H2,1H3,(H,19,20).
What are the key properties of 2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide?
2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 303.47 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 91580682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).