N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide

C22H32N2O2S — CID 55865333

IUPACN-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCC(C)(C)C(NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1
InChIInChI=1S/C22H32N2O2S/c1-21(2,3)19(17-5-4-6-27-17)24-18(25)13-23-20(26)22-10-14-7-15(11-22)9-16(8-14)12-22/h4-6,14-16,19H,7-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyMQJCVCBPWABIRZ-UHFFFAOYSA-N
MW388.58 g/mol
LogP4.28
Rot. Bonds5

About N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 55865333) has the molecular formula C22H32N2O2S and a molecular weight of 388.58 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID55865333
Molecular FormulaC22H32N2O2S
Molecular Weight388.58 g/mol
Exact Mass388.22
IUPAC NameN-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCC(C)(C)C(NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1
InChIInChI=1S/C22H32N2O2S/c1-21(2,3)19(17-5-4-6-27-17)24-18(25)13-23-20(26)22-10-14-7-15(11-22)9-16(8-14)12-22/h4-6,14-16,19H,7-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyMQJCVCBPWABIRZ-UHFFFAOYSA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]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-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 87022154
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide
CID 4807610
N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 38705329
N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 94490347
N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
N-[2-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 55370138
N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 17014187
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]adamantane-1-carboxamide
CID 17012416
N-[4-oxo-4-[[phenyl(thiophen-2-yl)methyl]amino]butyl]adamantane-1-carboxamide
CID 24682641
N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide
CID 18116583
N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18111449
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18118534

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide (CID 55865333) is N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide is CC(C)(C)C(NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1.
What is the InChIKey of N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is MQJCVCBPWABIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2S/c1-21(2,3)19(17-5-4-6-27-17)24-18(25)13-23-20(26)22-10-14-7-15(11-22)9-16(8-14)12-22/h4-6,14-16,19H,7-13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 388.58 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 55865333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).