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

C18H23ClFN3O4S — CID 119466096

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride
SMILESCCC(Oc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C18H22FN3O4S.ClH/c1-2-16(26-17-9-4-3-8-15(17)19)18(23)22-13-6-5-7-14(12-13)27(24,25)21-11-10-20;/h3-9,12,16,21H,2,10-11,20H2,1H3,(H,22,23);1H
InChIKeyFAQIFFHAVLPQRF-UHFFFAOYSA-N
MW431.92 g/mol
LogP2.28
Rot. Bonds9

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

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride (PubChem CID 119466096) has the molecular formula C18H23ClFN3O4S and a molecular weight of 431.92 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride
PubChem CID119466096
Molecular FormulaC18H23ClFN3O4S
Molecular Weight431.92 g/mol
Exact Mass431.11
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride
SMILESCCC(Oc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C18H22FN3O4S.ClH/c1-2-16(26-17-9-4-3-8-15(17)19)18(23)22-13-6-5-7-14(12-13)27(24,25)21-11-10-20;/h3-9,12,16,21H,2,10-11,20H2,1H3,(H,22,23);1H
InChIKeyFAQIFFHAVLPQRF-UHFFFAOYSA-N
XLogP2.28
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119466092
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride
CID 119465426
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207
(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 44782476
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 40742385
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 119465897
N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119409107
N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide
CID 78843000
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide
CID 119465603

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride (CID 119466096) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride is CCC(Oc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride?
The InChIKey is FAQIFFHAVLPQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4S.ClH/c1-2-16(26-17-9-4-3-8-15(17)19)18(23)22-13-6-5-7-14(12-13)27(24,25)21-11-10-20;/h3-9,12,16,21H,2,10-11,20H2,1H3,(H,22,23);1H.
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride has a molecular weight of 431.92 g/mol, XLogP of 2.28, 9 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-(2-fluorophenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119466096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).