N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide

C19H28N2OS — CID 4807610

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide
SMILESCN(C)C(CNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1
InChIInChI=1S/C19H28N2OS/c1-21(2)16(17-4-3-5-23-17)12-20-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h3-5,13-16H,6-12H2,1-2H3,(H,20,22)
InChIKeyBCPJDCTURUVWIY-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.68
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide (PubChem CID 4807610) has the molecular formula C19H28N2OS and a molecular weight of 332.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide
PubChem CID4807610
Molecular FormulaC19H28N2OS
Molecular Weight332.51 g/mol
Exact Mass332.19
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide
SMILESCN(C)C(CNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1
InChIInChI=1S/C19H28N2OS/c1-21(2)16(17-4-3-5-23-17)12-20-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h3-5,13-16H,6-12H2,1-2H3,(H,20,22)
InChIKeyBCPJDCTURUVWIY-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide (CID 4807610) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide is CN(C)C(CNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide?
The InChIKey is BCPJDCTURUVWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OS/c1-21(2)16(17-4-3-5-23-17)12-20-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h3-5,13-16H,6-12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide has a molecular weight of 332.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide is sourced from PubChem (CID 4807610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).