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

C12H19N3O4S — CID 119466051

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C12H19N3O4S/c1-9(19-2)12(16)15-10-4-3-5-11(8-10)20(17,18)14-7-6-13/h3-5,8-9,14H,6-7,13H2,1-2H3,(H,15,16)
InChIKeyAQSWKNGWKTWMHI-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.10
Rot. Bonds7

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

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide (PubChem CID 119466051) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
PubChem CID119466051
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C12H19N3O4S/c1-9(19-2)12(16)15-10-4-3-5-11(8-10)20(17,18)14-7-6-13/h3-5,8-9,14H,6-7,13H2,1-2H3,(H,15,16)
InChIKeyAQSWKNGWKTWMHI-UHFFFAOYSA-N
XLogP-0.10
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 119465897
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide
CID 119465681
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 91645307
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]-3-methylhexanamide;hydrochloride
CID 119465624
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-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119465925
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 119465959

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide (CID 119466051) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide is COC(C)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide?
The InChIKey is AQSWKNGWKTWMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-9(19-2)12(16)15-10-4-3-5-11(8-10)20(17,18)14-7-6-13/h3-5,8-9,14H,6-7,13H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide has a molecular weight of 301.37 g/mol, XLogP of -0.10, 7 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-methoxypropanamide is sourced from PubChem (CID 119466051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).