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

C13H21N3O4S — CID 119465913

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C13H21N3O4S/c1-3-20-10(2)13(17)16-11-5-4-6-12(9-11)21(18,19)15-8-7-14/h4-6,9-10,15H,3,7-8,14H2,1-2H3,(H,16,17)
InChIKeyKRDFZOOCWHPUSB-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.29
Rot. Bonds8

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

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide (PubChem CID 119465913) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
PubChem CID119465913
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C13H21N3O4S/c1-3-20-10(2)13(17)16-11-5-4-6-12(9-11)21(18,19)15-8-7-14/h4-6,9-10,15H,3,7-8,14H2,1-2H3,(H,16,17)
InChIKeyKRDFZOOCWHPUSB-UHFFFAOYSA-N
XLogP0.29
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-methoxyphenoxy)propanamide
CID 119465897
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride
CID 119465624
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-(2-methylphenoxy)butanamide;hydrochloride
CID 119466092
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119466096
N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119465925
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride
CID 119465426

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide (CID 119465913) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide is CCOC(C)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide?
The InChIKey is KRDFZOOCWHPUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-20-10(2)13(17)16-11-5-4-6-12(9-11)21(18,19)15-8-7-14/h4-6,9-10,15H,3,7-8,14H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide has a molecular weight of 315.40 g/mol, XLogP of 0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide is sourced from PubChem (CID 119465913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).