tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate

C15H19FN2O5S — CID 168713501

IUPACtert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CC(S(=O)(=O)F)CC2=O)cc1
InChIInChI=1S/C15H19FN2O5S/c1-15(2,3)23-14(20)17-10-4-6-11(7-5-10)18-9-12(8-13(18)19)24(16,21)22/h4-7,12H,8-9H2,1-3H3,(H,17,20)
InChIKeyYKDOSUDOPFYAFA-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.44
Rot. Bonds3

About tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate

tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate (PubChem CID 168713501) has the molecular formula C15H19FN2O5S and a molecular weight of 358.39 g/mol. Its IUPAC name is tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate
PubChem CID168713501
Molecular FormulaC15H19FN2O5S
Molecular Weight358.39 g/mol
Exact Mass358.10
IUPAC Nametert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CC(S(=O)(=O)F)CC2=O)cc1
InChIInChI=1S/C15H19FN2O5S/c1-15(2,3)23-14(20)17-10-4-6-11(7-5-10)18-9-12(8-13(18)19)24(16,21)22/h4-7,12H,8-9H2,1-3H3,(H,17,20)
InChIKeyYKDOSUDOPFYAFA-UHFFFAOYSA-N
XLogP2.44
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-methylbutanoylamino)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713559
1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713846
tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168659109
tert-butyl N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168506913
N-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716951
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl fluoride
CID 168715991
1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714211
1-[4-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716006
1-(3-acetamido-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713630
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713785
1-[4-(2-methoxyethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714015
tert-butyl 4-[5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 168713473

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate (CID 168713501) is tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(N2CC(S(=O)(=O)F)CC2=O)cc1.
What is the InChIKey of tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate?
The InChIKey is YKDOSUDOPFYAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O5S/c1-15(2,3)23-14(20)17-10-4-6-11(7-5-10)18-9-12(8-13(18)19)24(16,21)22/h4-7,12H,8-9H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate?
tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate has a molecular weight of 358.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate is sourced from PubChem (CID 168713501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).