N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride

C17H25ClN2O2S2 — CID 119613592

IUPACN-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
SMILESCl.NCC(NC(=O)COc1ccc(C2SCCCS2)cc1)C1CC1
InChIInChI=1S/C17H24N2O2S2.ClH/c18-10-15(12-2-3-12)19-16(20)11-21-14-6-4-13(5-7-14)17-22-8-1-9-23-17;/h4-7,12,15,17H,1-3,8-11,18H2,(H,19,20);1H
InChIKeyYIBSDTAHHFCYQF-UHFFFAOYSA-N
MW388.99 g/mol
LogP3.21
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride (PubChem CID 119613592) has the molecular formula C17H25ClN2O2S2 and a molecular weight of 388.99 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
PubChem CID119613592
Molecular FormulaC17H25ClN2O2S2
Molecular Weight388.99 g/mol
Exact Mass388.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
SMILESCl.NCC(NC(=O)COc1ccc(C2SCCCS2)cc1)C1CC1
InChIInChI=1S/C17H24N2O2S2.ClH/c18-10-15(12-2-3-12)19-16(20)11-21-14-6-4-13(5-7-14)17-22-8-1-9-23-17;/h4-7,12,15,17H,1-3,8-11,18H2,(H,19,20);1H
InChIKeyYIBSDTAHHFCYQF-UHFFFAOYSA-N
XLogP3.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.99
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride with MolForge

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Related Compounds

(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]propanoic acid
CID 75429449
N-(2-amino-1-cyclohexylethyl)-2-(4-ethoxyphenoxy)acetamide
CID 119590687
N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55382021
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
CID 119572869
(2S)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-4-methylpentanoic acid
CID 119361444
N-[1-(4-bromophenyl)ethyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55383224
(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-N-propylpropanamide
CID 51578802
N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
CID 119590390
N-(2-amino-2-phenylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
CID 119527747
N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119616000
N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide
CID 119614628
N-(2-amino-1-cyclopropylethyl)-2-(3-methylphenoxy)acetamide
CID 119616033

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride (CID 119613592) is N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride is Cl.NCC(NC(=O)COc1ccc(C2SCCCS2)cc1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride?
The InChIKey is YIBSDTAHHFCYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S2.ClH/c18-10-15(12-2-3-12)19-16(20)11-21-14-6-4-13(5-7-14)17-22-8-1-9-23-17;/h4-7,12,15,17H,1-3,8-11,18H2,(H,19,20);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride has a molecular weight of 388.99 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119613592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).