N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide

C21H29NO2S — CID 55456224

IUPACN-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
SMILESO=C(N(Cc1cccs1)CC1CCCO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NO2S/c23-20(21-10-15-7-16(11-21)9-17(8-15)12-21)22(13-18-3-1-5-24-18)14-19-4-2-6-25-19/h2,4,6,15-18H,1,3,5,7-14H2
InChIKeyIZINOJFIGBFBLG-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.47
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide

N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide (PubChem CID 55456224) has the molecular formula C21H29NO2S and a molecular weight of 359.54 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
PubChem CID55456224
Molecular FormulaC21H29NO2S
Molecular Weight359.54 g/mol
Exact Mass359.19
IUPAC NameN-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
SMILESO=C(N(Cc1cccs1)CC1CCCO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NO2S/c23-20(21-10-15-7-16(11-21)9-17(8-15)12-21)22(13-18-3-1-5-24-18)14-19-4-2-6-25-19/h2,4,6,15-18H,1,3,5,7-14H2
InChIKeyIZINOJFIGBFBLG-UHFFFAOYSA-N
XLogP4.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
(E)-4-oxo-4-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]but-2-enoic acid
CID 60953299
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 60687494
4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79208816
1-[[(2R)-oxolan-2-yl]methyl]-3-prop-2-ynyl-1-(thiophen-2-ylmethyl)urea
CID 94179313
3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869247
4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 60936615
N-(1-adamantylmethyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055577
3-iodo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55389165
(3S)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81126276

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide (CID 55456224) is N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide is O=C(N(Cc1cccs1)CC1CCCO1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
The InChIKey is IZINOJFIGBFBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2S/c23-20(21-10-15-7-16(11-21)9-17(8-15)12-21)22(13-18-3-1-5-24-18)14-19-4-2-6-25-19/h2,4,6,15-18H,1,3,5,7-14H2.
What are the key properties of N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 55456224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).