N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride

C18H26ClN3O4S — CID 120567612

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride
SMILESCCOCCS(=O)(=O)NCC(=O)NC(CN)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C18H25N3O4S.ClH/c1-2-25-9-10-26(23,24)20-13-18(22)21-17(12-19)16-8-7-14-5-3-4-6-15(14)11-16;/h3-8,11,17,20H,2,9-10,12-13,19H2,1H3,(H,21,22);1H
InChIKeyXQCHCGHCOCSPMQ-UHFFFAOYSA-N
MW415.94 g/mol
LogP1.33
Rot. Bonds10

About N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride (PubChem CID 120567612) has the molecular formula C18H26ClN3O4S and a molecular weight of 415.94 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride
PubChem CID120567612
Molecular FormulaC18H26ClN3O4S
Molecular Weight415.94 g/mol
Exact Mass415.13
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride
SMILESCCOCCS(=O)(=O)NCC(=O)NC(CN)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C18H25N3O4S.ClH/c1-2-25-9-10-26(23,24)20-13-18(22)21-17(12-19)16-8-7-14-5-3-4-6-15(14)11-16;/h3-8,11,17,20H,2,9-10,12-13,19H2,1H3,(H,21,22);1H
InChIKeyXQCHCGHCOCSPMQ-UHFFFAOYSA-N
XLogP1.33
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.94
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride 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-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 120567986
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)-2-methylpropanamide;hydrochloride
CID 120597706
N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
CID 120584336
3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 120567798
N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride
CID 120584320
N-(2-amino-1-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 120567970
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride
CID 120567726
3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide
CID 120567799
N-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 120567466
N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 120567691

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride (CID 120567612) is N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride is CCOCCS(=O)(=O)NCC(=O)NC(CN)c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride?
The InChIKey is XQCHCGHCOCSPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S.ClH/c1-2-25-9-10-26(23,24)20-13-18(22)21-17(12-19)16-8-7-14-5-3-4-6-15(14)11-16;/h3-8,11,17,20H,2,9-10,12-13,19H2,1H3,(H,21,22);1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride has a molecular weight of 415.94 g/mol, XLogP of 1.33, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride is sourced from PubChem (CID 120567612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).