2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide

C12H16F2N2O3S — CID 47070120

IUPAC2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide
SMILESCCCCS(=O)(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O3S/c1-2-3-6-20(18,19)15-8-12(17)16-9-4-5-10(13)11(14)7-9/h4-5,7,15H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyBGCJIKNZTCUGEC-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.62
Rot. Bonds7

About 2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide

2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide (PubChem CID 47070120) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide
PubChem CID47070120
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide
SMILESCCCCS(=O)(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O3S/c1-2-3-6-20(18,19)15-8-12(17)16-9-4-5-10(13)11(14)7-9/h4-5,7,15H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyBGCJIKNZTCUGEC-UHFFFAOYSA-N
XLogP1.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide
CID 112998471
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-(3,4-difluorophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 113002375
N-(3-chloro-4-fluorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 110285381
3-(butylamino)-N-(3,4-difluorophenyl)propanamide
CID 109012546
N'-(3,4-difluorophenyl)-N-pentylpropanediamide
CID 108951995
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 2167939
N-(3,4-difluorophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
CID 113002363
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide
CID 113000142
ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 113002353

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide (CID 47070120) is 2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide is CCCCS(=O)(=O)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is BGCJIKNZTCUGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-2-3-6-20(18,19)15-8-12(17)16-9-4-5-10(13)11(14)7-9/h4-5,7,15H,2-3,6,8H2,1H3,(H,16,17).
What are the key properties of 2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide?
2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 306.33 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 47070120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).