propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate

C18H20FNO4S — CID 50894603

IUPACpropan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate
SMILESCC(C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO4S/c1-14(2)24-18(21)13-20(12-15-6-4-3-5-7-15)25(22,23)17-10-8-16(19)9-11-17/h3-11,14H,12-13H2,1-2H3
InChIKeyUKTFNJXHMKHVDL-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.97
Rot. Bonds7

About propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate

propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate (PubChem CID 50894603) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate
PubChem CID50894603
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Namepropan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate
SMILESCC(C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO4S/c1-14(2)24-18(21)13-20(12-15-6-4-3-5-7-15)25(22,23)17-10-8-16(19)9-11-17/h3-11,14H,12-13H2,1-2H3
InChIKeyUKTFNJXHMKHVDL-UHFFFAOYSA-N
XLogP2.97
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401044
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 21380497
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
CID 30232535
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401062
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
propan-2-yl 2-(2-bromo-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50890448
N-benzyl-4-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 3779168
propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50893485
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28543966
tert-butyl 2-[(4-fluorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetate
CID 100984414
methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate
CID 1119907

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate (CID 50894603) is propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate is CC(C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate?
The InChIKey is UKTFNJXHMKHVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-14(2)24-18(21)13-20(12-15-6-4-3-5-7-15)25(22,23)17-10-8-16(19)9-11-17/h3-11,14H,12-13H2,1-2H3.
What are the key properties of propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate?
propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate has a molecular weight of 365.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 50894603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).