N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride

C13H24ClN3O4S2 — CID 120717360

IUPACN-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc(CCNC(C)=O)s1.Cl
InChIInChI=1S/C13H23N3O4S2.ClH/c1-11(17)15-6-5-12-3-4-13(21-12)22(18,19)16-8-7-14-9-10-20-2;/h3-4,14,16H,5-10H2,1-2H3,(H,15,17);1H
InChIKeyGWZYIXSKAIASQE-UHFFFAOYSA-N
MW385.94 g/mol
LogP0.36
Rot. Bonds11

About N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride

N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride (PubChem CID 120717360) has the molecular formula C13H24ClN3O4S2 and a molecular weight of 385.94 g/mol. Its IUPAC name is N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
PubChem CID120717360
Molecular FormulaC13H24ClN3O4S2
Molecular Weight385.94 g/mol
Exact Mass385.09
IUPAC NameN-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc(CCNC(C)=O)s1.Cl
InChIInChI=1S/C13H23N3O4S2.ClH/c1-11(17)15-6-5-12-3-4-13(21-12)22(18,19)16-8-7-14-9-10-20-2;/h3-4,14,16H,5-10H2,1-2H3,(H,15,17);1H
InChIKeyGWZYIXSKAIASQE-UHFFFAOYSA-N
XLogP0.36
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 50.36
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

N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 120717361
N-[[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30180963
5-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 120717305
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride
CID 119994670
5-(aminomethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 43155671
N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 120717968
N-[2-[5-[(3,5-dimethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068610
N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119980807
N-[[5-[2-(4-methoxyphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 60516900
2-(2-methoxyethylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]acetamide
CID 119802253
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
CID 106092710

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride (CID 120717360) is N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride is COCCNCCNS(=O)(=O)c1ccc(CCNC(C)=O)s1.Cl.
What is the InChIKey of N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride?
The InChIKey is GWZYIXSKAIASQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S2.ClH/c1-11(17)15-6-5-12-3-4-13(21-12)22(18,19)16-8-7-14-9-10-20-2;/h3-4,14,16H,5-10H2,1-2H3,(H,15,17);1H.
What are the key properties of N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride?
N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 0.36, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 120717360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).