tert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate

C17H24FNO3S — CID 70304500

IUPACtert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate
SMILESCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccccc1F
InChIInChI=1S/C17H24FNO3S/c1-17(2,3)22-16(21)19-14(9-10-23-4)15(20)11-12-7-5-6-8-13(12)18/h5-8,14H,9-11H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeySAVPFQKYTGZJNS-AWEZNQCLSA-N
MW341.45 g/mol
LogP3.58
Rot. Bonds7

About tert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate

tert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate (PubChem CID 70304500) has the molecular formula C17H24FNO3S and a molecular weight of 341.45 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate
PubChem CID70304500
Molecular FormulaC17H24FNO3S
Molecular Weight341.45 g/mol
Exact Mass341.15
IUPAC Nametert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate
SMILESCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccccc1F
InChIInChI=1S/C17H24FNO3S/c1-17(2,3)22-16(21)19-14(9-10-23-4)15(20)11-12-7-5-6-8-13(12)18/h5-8,14H,9-11H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeySAVPFQKYTGZJNS-AWEZNQCLSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate (CID 70304500) is tert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate is CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1ccccc1F.
What is the InChIKey of tert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate?
The InChIKey is SAVPFQKYTGZJNS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24FNO3S/c1-17(2,3)22-16(21)19-14(9-10-23-4)15(20)11-12-7-5-6-8-13(12)18/h5-8,14H,9-11H2,1-4H3,(H,19,21)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate?
tert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate has a molecular weight of 341.45 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-(2-fluorophenyl)-5-methylsulfanyl-2-oxopentan-3-yl]carbamate is sourced from PubChem (CID 70304500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).