2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide

C14H21FN2O3S — CID 107327408

IUPAC2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCC(=O)NCC(C)C
InChIInChI=1S/C14H21FN2O3S/c1-9(2)7-16-13(18)8-17-21(19,20)14-10(3)5-12(15)6-11(14)4/h5-6,9,17H,7-8H2,1-4H3,(H,16,18)
InChIKeyXYXSNAFOSQDYBP-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.49
Rot. Bonds6

About 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide

2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide (PubChem CID 107327408) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
PubChem CID107327408
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCC(=O)NCC(C)C
InChIInChI=1S/C14H21FN2O3S/c1-9(2)7-16-13(18)8-17-21(19,20)14-10(3)5-12(15)6-11(14)4/h5-6,9,17H,7-8H2,1-4H3,(H,16,18)
InChIKeyXYXSNAFOSQDYBP-UHFFFAOYSA-N
XLogP1.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
CID 107326194
N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327346
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327684
4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107326601
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 107327415
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
N-(2-bromo-3-methylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329395
4-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107328351
2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide
CID 106997106
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 106108260

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide (CID 107327408) is 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide is Cc1cc(F)cc(C)c1S(=O)(=O)NCC(=O)NCC(C)C.
What is the InChIKey of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is XYXSNAFOSQDYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-9(2)7-16-13(18)8-17-21(19,20)14-10(3)5-12(15)6-11(14)4/h5-6,9,17H,7-8H2,1-4H3,(H,16,18).
What are the key properties of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 107327408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).