N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide

C18H21FN2O3S — CID 9108286

IUPACN-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O3S/c1-18(2,3)21-25(23,24)15-9-6-8-14(12-15)20-17(22)11-13-7-4-5-10-16(13)19/h4-10,12,21H,11H2,1-3H3,(H,20,22)
InChIKeyYKFSYYMDJUZGND-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.08
Rot. Bonds5

About N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide

N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide (PubChem CID 9108286) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide
PubChem CID9108286
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O3S/c1-18(2,3)21-25(23,24)15-9-6-8-14(12-15)20-17(22)11-13-7-4-5-10-16(13)19/h4-10,12,21H,11H2,1-3H3,(H,20,22)
InChIKeyYKFSYYMDJUZGND-UHFFFAOYSA-N
XLogP3.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 9108470
N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 9107906
N-[3-(tert-butylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 9108242
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 119688794
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 9108432
(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide
CID 9108359
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119270879
4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 33247250
N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56538153
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 51295136
4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
CID 25445720
3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide
CID 9020862

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide (CID 9108286) is N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)Cc2ccccc2F)c1.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is YKFSYYMDJUZGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-18(2,3)21-25(23,24)15-9-6-8-14(12-15)20-17(22)11-13-7-4-5-10-16(13)19/h4-10,12,21H,11H2,1-3H3,(H,20,22).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide?
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 364.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 9108286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).