N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide

C16H27N3O3S — CID 119465207

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C16H27N3O3S/c1-3-5-7-13(4-2)16(20)19-14-8-6-9-15(12-14)23(21,22)18-11-10-17/h6,8-9,12-13,18H,3-5,7,10-11,17H2,1-2H3,(H,19,20)
InChIKeyPGGKYDORVMXNCO-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.08
Rot. Bonds10

About N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide (PubChem CID 119465207) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
PubChem CID119465207
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C16H27N3O3S/c1-3-5-7-13(4-2)16(20)19-14-8-6-9-15(12-14)23(21,22)18-11-10-17/h6,8-9,12-13,18H,3-5,7,10-11,17H2,1-2H3,(H,19,20)
InChIKeyPGGKYDORVMXNCO-UHFFFAOYSA-N
XLogP2.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide 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-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide
CID 119465681
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119465372
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride
CID 119465624
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide
CID 65225091
2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide
CID 60854034
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119466096
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119466092
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
5-amino-N-(3-aminophenyl)-2-ethylpentanamide
CID 164939498

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide (CID 119465207) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide?
The InChIKey is PGGKYDORVMXNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-3-5-7-13(4-2)16(20)19-14-8-6-9-15(12-14)23(21,22)18-11-10-17/h6,8-9,12-13,18H,3-5,7,10-11,17H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide has a molecular weight of 341.48 g/mol, XLogP of 2.08, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide is sourced from PubChem (CID 119465207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).