N-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride

C15H24ClN3O4S2 — CID 119615675

IUPACN-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)C1CC1
InChIInChI=1S/C15H23N3O4S2.ClH/c16-9-14(11-1-2-11)18-15(19)10-23-8-7-22-12-3-5-13(6-4-12)24(17,20)21;/h3-6,11,14H,1-2,7-10,16H2,(H,18,19)(H2,17,20,21);1H
InChIKeyYQYNHRRGJBISHY-UHFFFAOYSA-N
MW409.96 g/mol
LogP0.72
Rot. Bonds10

About N-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride (PubChem CID 119615675) has the molecular formula C15H24ClN3O4S2 and a molecular weight of 409.96 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride
PubChem CID119615675
Molecular FormulaC15H24ClN3O4S2
Molecular Weight409.96 g/mol
Exact Mass409.09
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)C1CC1
InChIInChI=1S/C15H23N3O4S2.ClH/c16-9-14(11-1-2-11)18-15(19)10-23-8-7-22-12-3-5-13(6-4-12)24(17,20)21;/h3-6,11,14H,1-2,7-10,16H2,(H,18,19)(H2,17,20,21);1H
InChIKeyYQYNHRRGJBISHY-UHFFFAOYSA-N
XLogP0.72
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetyl]amino]acetic acid
CID 119349966
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N-(2-amino-1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119614077
N-(2-amino-1-cyclopropylethyl)-2-phenacylsulfanylacetamide
CID 119613813
N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119986985
4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 119590176
N-(2-amino-1-cyclopropylethyl)-4-(3,4-dimethylphenoxy)butanamide
CID 119617914
2-methyl-3-[methyl-[2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetyl]amino]propanoic acid
CID 122111818
N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 119613885
N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
CID 119613592
N-(2-amino-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119616654
N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride
CID 119617229

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride (CID 119615675) is N-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride is Cl.NCC(NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride?
The InChIKey is YQYNHRRGJBISHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2.ClH/c16-9-14(11-1-2-11)18-15(19)10-23-8-7-22-12-3-5-13(6-4-12)24(17,20)21;/h3-6,11,14H,1-2,7-10,16H2,(H,18,19)(H2,17,20,21);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 0.72, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-[2-(4-sulfamoylphenoxy)ethylsulfanyl]acetamide;hydrochloride is sourced from PubChem (CID 119615675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).