2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide

C12H17F2N3O3S — CID 119332348

IUPAC2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(NC(=O)CN)c(F)cc1F
InChIInChI=1S/C12H17F2N3O3S/c1-12(2,3)17-21(19,20)10-5-9(16-11(18)6-15)7(13)4-8(10)14/h4-5,17H,6,15H2,1-3H3,(H,16,18)
InChIKeyNIUANKDWRFSUQU-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.94
Rot. Bonds4

About 2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide

2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide (PubChem CID 119332348) has the molecular formula C12H17F2N3O3S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide
PubChem CID119332348
Molecular FormulaC12H17F2N3O3S
Molecular Weight321.35 g/mol
Exact Mass321.10
IUPAC Name2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(NC(=O)CN)c(F)cc1F
InChIInChI=1S/C12H17F2N3O3S/c1-12(2,3)17-21(19,20)10-5-9(16-11(18)6-15)7(13)4-8(10)14/h4-5,17H,6,15H2,1-3H3,(H,16,18)
InChIKeyNIUANKDWRFSUQU-UHFFFAOYSA-N
XLogP0.94
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-(methylamino)acetamide;hydrochloride
CID 119798889
(2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide
CID 119798894
3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-2-methylbutanamide;hydrochloride
CID 120501411
3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798887
5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
CID 43699282
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide
CID 119320405
5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide
CID 28718664
N-(2,4,5-trifluorophenyl)propanamide
CID 63372836
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
N-(1-amino-2-methylpropan-2-yl)-2,5-difluoro-4-methylbenzenesulfonamide
CID 86780656
3-[(2-aminoacetyl)amino]-4-fluorobenzamide
CID 43706066
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide
CID 119985170

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide?
The IUPAC name of 2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide (CID 119332348) is 2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide.
What is the SMILES notation for 2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide?
The canonical SMILES for 2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide is CC(C)(C)NS(=O)(=O)c1cc(NC(=O)CN)c(F)cc1F.
What is the InChIKey of 2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide?
The InChIKey is NIUANKDWRFSUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O3S/c1-12(2,3)17-21(19,20)10-5-9(16-11(18)6-15)7(13)4-8(10)14/h4-5,17H,6,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide?
2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide has a molecular weight of 321.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide is sourced from PubChem (CID 119332348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).