tert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate

C20H24FNO4S — CID 100984414

IUPACtert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate
SMILESCc1ccc(CN(CC(=O)OC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO4S/c1-15-5-7-16(8-6-15)13-22(14-19(23)26-20(2,3)4)27(24,25)18-11-9-17(21)10-12-18/h5-12H,13-14H2,1-4H3
InChIKeyHUZYVYHEGRHXAY-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.67
Rot. Bonds6

About tert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate

tert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate (PubChem CID 100984414) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is tert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate
PubChem CID100984414
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Nametert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate
SMILESCc1ccc(CN(CC(=O)OC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO4S/c1-15-5-7-16(8-6-15)13-22(14-19(23)26-20(2,3)4)27(24,25)18-11-9-17(21)10-12-18/h5-12H,13-14H2,1-4H3
InChIKeyHUZYVYHEGRHXAY-UHFFFAOYSA-N
XLogP3.67
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 126072480
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetate
CID 7317776
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 987006
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 1324652
propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate
CID 50894603
2-[4-[[2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100793272
methyl 2-[[4,5-dibromo-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(4-methylphenyl)sulfonylamino]acetate
CID 150873098
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 4255094
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126063548
N-hydroxy-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100984437
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 29357217
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide
CID 126068032

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate?
The IUPAC name of tert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate (CID 100984414) is tert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate is Cc1ccc(CN(CC(=O)OC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of tert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate?
The InChIKey is HUZYVYHEGRHXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-15-5-7-16(8-6-15)13-22(14-19(23)26-20(2,3)4)27(24,25)18-11-9-17(21)10-12-18/h5-12H,13-14H2,1-4H3.
What are the key properties of tert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate?
tert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate has a molecular weight of 393.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate is sourced from PubChem (CID 100984414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).