N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide

C18H22FN3O3S — CID 119465603

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cccc(S(=O)(=O)NCCN)c1)c1ccccc1F
InChIInChI=1S/C18H22FN3O3S/c1-18(2,15-8-3-4-9-16(15)19)17(23)22-13-6-5-7-14(12-13)26(24,25)21-11-10-20/h3-9,12,21H,10-11,20H2,1-2H3,(H,22,23)
InChIKeyPQFHQLPTDHQTKW-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.98
Rot. Bonds7

About N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide (PubChem CID 119465603) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide
PubChem CID119465603
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cccc(S(=O)(=O)NCCN)c1)c1ccccc1F
InChIInChI=1S/C18H22FN3O3S/c1-18(2,15-8-3-4-9-16(15)19)17(23)22-13-6-5-7-14(12-13)26(24,25)21-11-10-20/h3-9,12,21H,10-11,20H2,1-2H3,(H,22,23)
InChIKeyPQFHQLPTDHQTKW-UHFFFAOYSA-N
XLogP1.98
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride
CID 119465694
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119466096
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207
N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide
CID 70646120
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 9108286
N-[3-(2-aminoethylsulfamoyl)phenyl]cyclobutanecarboxamide;hydrochloride
CID 119465742

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide (CID 119465603) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide is CC(C)(C(=O)Nc1cccc(S(=O)(=O)NCCN)c1)c1ccccc1F.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide?
The InChIKey is PQFHQLPTDHQTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-18(2,15-8-3-4-9-16(15)19)17(23)22-13-6-5-7-14(12-13)26(24,25)21-11-10-20/h3-9,12,21H,10-11,20H2,1-2H3,(H,22,23).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenyl)-2-methylpropanamide has a molecular weight of 379.46 g/mol, XLogP of 1.98, 7 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-(2-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 119465603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).