2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride

C17H29Cl2N3O2S — CID 120797019

IUPAC2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCC(c1cccs1)N1CCCC1)C1CCOCC1
InChIInChI=1S/C17H27N3O2S.2ClH/c18-16(13-5-9-22-10-6-13)17(21)19-12-14(15-4-3-11-23-15)20-7-1-2-8-20;;/h3-4,11,13-14,16H,1-2,5-10,12,18H2,(H,19,21);2*1H
InChIKeyQSWJUEHKZBTSDP-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.60
Rot. Bonds6

About 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride

2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride (PubChem CID 120797019) has the molecular formula C17H29Cl2N3O2S and a molecular weight of 410.41 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
PubChem CID120797019
Molecular FormulaC17H29Cl2N3O2S
Molecular Weight410.41 g/mol
Exact Mass409.14
IUPAC Name2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCC(c1cccs1)N1CCCC1)C1CCOCC1
InChIInChI=1S/C17H27N3O2S.2ClH/c18-16(13-5-9-22-10-6-13)17(21)19-12-14(15-4-3-11-23-15)20-7-1-2-8-20;;/h3-4,11,13-14,16H,1-2,5-10,12,18H2,(H,19,21);2*1H
InChIKeyQSWJUEHKZBTSDP-UHFFFAOYSA-N
XLogP2.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride 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

2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide
CID 120796894
2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-2-(oxan-4-yl)acetamide
CID 120798354
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pentanamide;dihydrochloride
CID 119831535
3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 120502460
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-(oxan-4-yl)acetamide
CID 120798822
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrrolidine-1-carboxamide
CID 94494130
2-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(oxan-4-yl)acetamide
CID 120799806
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 112504779
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158
N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-2-sulfamoylpropanamide
CID 138005791
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 119829137
1-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 65464082

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride (CID 120797019) is 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride is Cl.Cl.NC(C(=O)NCC(c1cccs1)N1CCCC1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride?
The InChIKey is QSWJUEHKZBTSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S.2ClH/c18-16(13-5-9-22-10-6-13)17(21)19-12-14(15-4-3-11-23-15)20-7-1-2-8-20;;/h3-4,11,13-14,16H,1-2,5-10,12,18H2,(H,19,21);2*1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride?
2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride has a molecular weight of 410.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride is sourced from PubChem (CID 120797019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).