N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C30H28FN3O3S — CID 58045392

IUPACN-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCc4ccc(-c5ccccn5)s4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C30H28FN3O3S/c1-20(35)33-18-24-19-34(30(36)37-24)23-12-14-26(27(31)17-23)22-10-8-21(9-11-22)5-4-6-25-13-15-29(38-25)28-7-2-3-16-32-28/h2-3,7-17,24H,4-6,18-19H2,1H3,(H,33,35)/t24-/m0/s1
InChIKeyIQRZMSVSINLPDL-DEOSSOPVSA-N
MW529.64 g/mol
LogP6.25
Rot. Bonds9

About N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 58045392) has the molecular formula C30H28FN3O3S and a molecular weight of 529.64 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID58045392
Molecular FormulaC30H28FN3O3S
Molecular Weight529.64 g/mol
Exact Mass529.18
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCc4ccc(-c5ccccn5)s4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C30H28FN3O3S/c1-20(35)33-18-24-19-34(30(36)37-24)23-12-14-26(27(31)17-23)22-10-8-21(9-11-22)5-4-6-25-13-15-29(38-25)28-7-2-3-16-32-28/h2-3,7-17,24H,4-6,18-19H2,1H3,(H,33,35)/t24-/m0/s1
InChIKeyIQRZMSVSINLPDL-DEOSSOPVSA-N
XLogP6.25
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.64
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide 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 N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 58045392) is N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCc4ccc(-c5ccccn5)s4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is IQRZMSVSINLPDL-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H28FN3O3S/c1-20(35)33-18-24-19-34(30(36)37-24)23-12-14-26(27(31)17-23)22-10-8-21(9-11-22)5-4-6-25-13-15-29(38-25)28-7-2-3-16-32-28/h2-3,7-17,24H,4-6,18-19H2,1H3,(H,33,35)/t24-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 529.64 g/mol, XLogP of 6.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-[3-(5-pyridin-2-ylthiophen-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 58045392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).