N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide

C14H22FN3O3S — CID 119991889

IUPACN-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N(C)CC(C)(C)CN)ccc1F
InChIInChI=1S/C14H22FN3O3S/c1-10(19)17-13-7-11(5-6-12(13)15)22(20,21)18(4)9-14(2,3)8-16/h5-7H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyXPWKKAAYWZYBTJ-UHFFFAOYSA-N
MW331.41 g/mol
LogP1.39
Rot. Bonds6

About N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide

N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide (PubChem CID 119991889) has the molecular formula C14H22FN3O3S and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
PubChem CID119991889
Molecular FormulaC14H22FN3O3S
Molecular Weight331.41 g/mol
Exact Mass331.14
IUPAC NameN-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N(C)CC(C)(C)CN)ccc1F
InChIInChI=1S/C14H22FN3O3S/c1-10(19)17-13-7-11(5-6-12(13)15)22(20,21)18(4)9-14(2,3)8-16/h5-7H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyXPWKKAAYWZYBTJ-UHFFFAOYSA-N
XLogP1.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide (CID 119991889) is N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)N(C)CC(C)(C)CN)ccc1F.
What is the InChIKey of N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide?
The InChIKey is XPWKKAAYWZYBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O3S/c1-10(19)17-13-7-11(5-6-12(13)15)22(20,21)18(4)9-14(2,3)8-16/h5-7H,8-9,16H2,1-4H3,(H,17,19).
What are the key properties of N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide?
N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide has a molecular weight of 331.41 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 119991889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).