N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide

C14H20F2N2O3S — CID 97070029

IUPACN-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C
InChIInChI=1S/C14H20F2N2O3S/c1-14(2,3)13(10-6-5-9(15)7-11(10)16)18-12(19)8-22(20,21)17-4/h5-7,13,17H,8H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyKPOFMVCBFNMMSU-CYBMUJFWSA-N
MW334.39 g/mol
LogP1.72
Rot. Bonds5

About N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide

N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide (PubChem CID 97070029) has the molecular formula C14H20F2N2O3S and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide
PubChem CID97070029
Molecular FormulaC14H20F2N2O3S
Molecular Weight334.39 g/mol
Exact Mass334.12
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C
InChIInChI=1S/C14H20F2N2O3S/c1-14(2,3)13(10-6-5-9(15)7-11(10)16)18-12(19)8-22(20,21)17-4/h5-7,13,17H,8H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyKPOFMVCBFNMMSU-CYBMUJFWSA-N
XLogP1.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride
CID 119816056
N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide
CID 119816063
N-[1-(2,4-difluorophenyl)ethyl]-2-propan-2-ylsulfonylacetamide
CID 87023939
1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 43491007
3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide
CID 119816053
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
1-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]carbamoyl]-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 167784871
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide
CID 61218464
2-[3-(2,4-difluorophenyl)butanoylamino]-2-methylpropanoic acid
CID 120515884
3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110000728
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide
CID 61249393
3-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119342170

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide (CID 97070029) is N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide is CNS(=O)(=O)CC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide?
The InChIKey is KPOFMVCBFNMMSU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20F2N2O3S/c1-14(2,3)13(10-6-5-9(15)7-11(10)16)18-12(19)8-22(20,21)17-4/h5-7,13,17H,8H2,1-4H3,(H,18,19)/t13-/m1/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide?
N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide has a molecular weight of 334.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide is sourced from PubChem (CID 97070029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).