N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide

C21H29NO2S — CID 90610662

IUPACN-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
SMILESO=C(N(Cc1cccs1)C1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NO2S/c23-20(21-11-15-8-16(12-21)10-17(9-15)13-21)22(14-19-2-1-7-25-19)18-3-5-24-6-4-18/h1-2,7,15-18H,3-6,8-14H2
InChIKeyZGGIJTMTJLWQSF-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.47
Rot. Bonds4

About N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide

N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide (PubChem CID 90610662) has the molecular formula C21H29NO2S and a molecular weight of 359.54 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
PubChem CID90610662
Molecular FormulaC21H29NO2S
Molecular Weight359.54 g/mol
Exact Mass359.19
IUPAC NameN-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
SMILESO=C(N(Cc1cccs1)C1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NO2S/c23-20(21-11-15-8-16(12-21)10-17(9-15)13-21)22(14-19-2-1-7-25-19)18-3-5-24-6-4-18/h1-2,7,15-18H,3-6,8-14H2
InChIKeyZGGIJTMTJLWQSF-UHFFFAOYSA-N
XLogP4.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610601
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 55456224
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
3-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 64892349
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
CID 80599455
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90610768
1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54870594
(2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 99873303

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide (CID 90610662) is N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide is O=C(N(Cc1cccs1)C1CCOCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
The InChIKey is ZGGIJTMTJLWQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2S/c23-20(21-11-15-8-16(12-21)10-17(9-15)13-21)22(14-19-2-1-7-25-19)18-3-5-24-6-4-18/h1-2,7,15-18H,3-6,8-14H2.
What are the key properties of N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 90610662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).