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

C14H21FN2O3S — CID 107327346

IUPACN-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H21FN2O3S/c1-9-6-11(15)7-10(2)13(9)21(19,20)16-8-12(18)17-14(3,4)5/h6-7,16H,8H2,1-5H3,(H,17,18)
InChIKeyVYMFBHTTXVCVRK-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.64
Rot. Bonds4

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

N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide (PubChem CID 107327346) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide
PubChem CID107327346
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H21FN2O3S/c1-9-6-11(15)7-10(2)13(9)21(19,20)16-8-12(18)17-14(3,4)5/h6-7,16H,8H2,1-5H3,(H,17,18)
InChIKeyVYMFBHTTXVCVRK-UHFFFAOYSA-N
XLogP1.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327684
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
CID 107326194
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 107327408
4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107326601
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide
CID 107329498
2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355883
2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 103697245
2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355879
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 107327415
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355937

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide (CID 107327346) is N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide is Cc1cc(F)cc(C)c1S(=O)(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide?
The InChIKey is VYMFBHTTXVCVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-9-6-11(15)7-10(2)13(9)21(19,20)16-8-12(18)17-14(3,4)5/h6-7,16H,8H2,1-5H3,(H,17,18).
What are the key properties of N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide?
N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide has a molecular weight of 316.40 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 107327346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).