N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide

C13H22N2O2S — CID 79200485

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C13H22N2O2S/c1-10(16)6-7-13(17)14-9-11(15(2)3)12-5-4-8-18-12/h4-5,8,10-11,16H,6-7,9H2,1-3H3,(H,14,17)
InChIKeyVSOWBBABCVEFTO-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.63
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide (PubChem CID 79200485) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
PubChem CID79200485
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C13H22N2O2S/c1-10(16)6-7-13(17)14-9-11(15(2)3)12-5-4-8-18-12/h4-5,8,10-11,16H,6-7,9H2,1-3H3,(H,14,17)
InChIKeyVSOWBBABCVEFTO-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide 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-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate
CID 60636693
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 30834281
3-(cyclopropylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 61274579
N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide
CID 18161704
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide
CID 4807612
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide
CID 43006702
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
CID 46685783
2-(tert-butylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 47839911

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide (CID 79200485) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide is CC(O)CCC(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide?
The InChIKey is VSOWBBABCVEFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10(16)6-7-13(17)14-9-11(15(2)3)12-5-4-8-18-12/h4-5,8,10-11,16H,6-7,9H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide has a molecular weight of 270.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide is sourced from PubChem (CID 79200485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).