N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide

C25H37N3O2S — CID 38705329

IUPACN-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCC1CCN([C@H](CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c2cccs2)CC1
InChIInChI=1S/C25H37N3O2S/c1-17-4-6-28(7-5-17)21(22-3-2-8-31-22)15-26-23(29)16-27-24(30)25-12-18-9-19(13-25)11-20(10-18)14-25/h2-3,8,17-21H,4-7,9-16H2,1H3,(H,26,29)(H,27,30)/t18?,19?,20?,21-,25?/m1/s1
InChIKeyRVINQOYUAJDLSW-DLBGWLJESA-N
MW443.66 g/mol
LogP3.97
Rot. Bonds7

About N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 38705329) has the molecular formula C25H37N3O2S and a molecular weight of 443.66 g/mol. Its IUPAC name is N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID38705329
Molecular FormulaC25H37N3O2S
Molecular Weight443.66 g/mol
Exact Mass443.26
IUPAC NameN-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCC1CCN([C@H](CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c2cccs2)CC1
InChIInChI=1S/C25H37N3O2S/c1-17-4-6-28(7-5-17)21(22-3-2-8-31-22)15-26-23(29)16-27-24(30)25-12-18-9-19(13-25)11-20(10-18)14-25/h2-3,8,17-21H,4-7,9-16H2,1H3,(H,26,29)(H,27,30)/t18?,19?,20?,21-,25?/m1/s1
InChIKeyRVINQOYUAJDLSW-DLBGWLJESA-N
XLogP3.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.66
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]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-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
4-bromo-N-[2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
CID 112768607
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
2-[[N'-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamimidoyl]amino]-N-phenylacetamide
CID 111323250
N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111323475
N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 55865333
N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 30524266
2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 75865101

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide (CID 38705329) is N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide is CC1CCN([C@H](CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c2cccs2)CC1.
What is the InChIKey of N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is RVINQOYUAJDLSW-DLBGWLJESA-N. The full InChI is InChI=1S/C25H37N3O2S/c1-17-4-6-28(7-5-17)21(22-3-2-8-31-22)15-26-23(29)16-27-24(30)25-12-18-9-19(13-25)11-20(10-18)14-25/h2-3,8,17-21H,4-7,9-16H2,1H3,(H,26,29)(H,27,30)/t18?,19?,20?,21-,25?/m1/s1.
What are the key properties of N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 443.66 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 38705329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).