N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide

C18H23N3O5S — CID 119465897

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)cc1
InChIInChI=1S/C18H23N3O5S/c1-13(26-16-8-6-15(25-2)7-9-16)18(22)21-14-4-3-5-17(12-14)27(23,24)20-11-10-19/h3-9,12-13,20H,10-11,19H2,1-2H3,(H,21,22)
InChIKeyPKWPJSNOTZRAGL-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.34
Rot. Bonds9

About N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 119465897) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID119465897
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)cc1
InChIInChI=1S/C18H23N3O5S/c1-13(26-16-8-6-15(25-2)7-9-16)18(22)21-14-4-3-5-17(12-14)27(23,24)20-11-10-19/h3-9,12-13,20H,10-11,19H2,1-2H3,(H,21,22)
InChIKeyPKWPJSNOTZRAGL-UHFFFAOYSA-N
XLogP1.34
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 24639819
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]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 119465959
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119466092
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119466096
(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 42064328
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide (CID 119465897) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)cc1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is PKWPJSNOTZRAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-13(26-16-8-6-15(25-2)7-9-16)18(22)21-14-4-3-5-17(12-14)27(23,24)20-11-10-19/h3-9,12-13,20H,10-11,19H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 393.47 g/mol, XLogP of 1.34, 9 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-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 119465897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).