N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide

C15H24FN3O3S — CID 119992394

IUPACN-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N(C)CCC(N)C(C)C)ccc1F
InChIInChI=1S/C15H24FN3O3S/c1-10(2)14(17)7-8-19(4)23(21,22)12-5-6-13(16)15(9-12)18-11(3)20/h5-6,9-10,14H,7-8,17H2,1-4H3,(H,18,20)
InChIKeyHEKDPZIPHXWPHY-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.78
Rot. Bonds7

About N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide

N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide (PubChem CID 119992394) has the molecular formula C15H24FN3O3S and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
PubChem CID119992394
Molecular FormulaC15H24FN3O3S
Molecular Weight345.44 g/mol
Exact Mass345.15
IUPAC NameN-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N(C)CCC(N)C(C)C)ccc1F
InChIInChI=1S/C15H24FN3O3S/c1-10(2)14(17)7-8-19(4)23(21,22)12-5-6-13(16)15(9-12)18-11(3)20/h5-6,9-10,14H,7-8,17H2,1-4H3,(H,18,20)
InChIKeyHEKDPZIPHXWPHY-UHFFFAOYSA-N
XLogP1.78
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 119992136
N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 119992402
N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride
CID 119992157
N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
CID 119991889
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide
CID 119660507
N-(3-amino-4-methylpentyl)-4-iodo-N-methylbenzenesulfonamide
CID 115317712
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
N-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide
CID 119992307
N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119992395
N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide
CID 106920625
ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride
CID 119992233

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide (CID 119992394) is N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)N(C)CCC(N)C(C)C)ccc1F.
What is the InChIKey of N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide?
The InChIKey is HEKDPZIPHXWPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O3S/c1-10(2)14(17)7-8-19(4)23(21,22)12-5-6-13(16)15(9-12)18-11(3)20/h5-6,9-10,14H,7-8,17H2,1-4H3,(H,18,20).
What are the key properties of N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide?
N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 119992394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).