N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride

C15H26ClN3O5S2 — CID 119465372

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride
SMILESCCCCCS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C15H25N3O5S2.ClH/c1-2-3-4-10-24(20,21)12-15(19)18-13-6-5-7-14(11-13)25(22,23)17-9-8-16;/h5-7,11,17H,2-4,8-10,12,16H2,1H3,(H,18,19);1H
InChIKeyKTYJNMISSGASRW-UHFFFAOYSA-N
MW427.98 g/mol
LogP0.89
Rot. Bonds11

About N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride (PubChem CID 119465372) has the molecular formula C15H26ClN3O5S2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride
PubChem CID119465372
Molecular FormulaC15H26ClN3O5S2
Molecular Weight427.98 g/mol
Exact Mass427.10
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride
SMILESCCCCCS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C15H25N3O5S2.ClH/c1-2-3-4-10-24(20,21)12-15(19)18-13-6-5-7-14(11-13)25(22,23)17-9-8-16;/h5-7,11,17H,2-4,8-10,12,16H2,1H3,(H,18,19);1H
InChIKeyKTYJNMISSGASRW-UHFFFAOYSA-N
XLogP0.89
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 50.89
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-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride
CID 119465624
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride
CID 119465426
N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide
CID 119465969
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride
CID 119465414
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
CID 119260164
N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 17419461
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride
CID 119466086

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride (CID 119465372) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride is CCCCCS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride?
The InChIKey is KTYJNMISSGASRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5S2.ClH/c1-2-3-4-10-24(20,21)12-15(19)18-13-6-5-7-14(11-13)25(22,23)17-9-8-16;/h5-7,11,17H,2-4,8-10,12,16H2,1H3,(H,18,19);1H.
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride has a molecular weight of 427.98 g/mol, XLogP of 0.89, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride is sourced from PubChem (CID 119465372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).