2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid

C20H21ClN2O6S — CID 159978901

IUPAC2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid
SMILESO=C(O)COCCNc1ccc(N2C[C@H](CCC(=O)c3ccc(Cl)s3)OC2=O)cc1
InChIInChI=1S/C20H21ClN2O6S/c21-18-8-7-17(30-18)16(24)6-5-15-11-23(20(27)29-15)14-3-1-13(2-4-14)22-9-10-28-12-19(25)26/h1-4,7-8,15,22H,5-6,9-12H2,(H,25,26)/t15-/m0/s1
InChIKeyFROLSDYYKPFGAB-HNNXBMFYSA-N
MW452.92 g/mol
LogP3.90
Rot. Bonds11

About 2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid

2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid (PubChem CID 159978901) has the molecular formula C20H21ClN2O6S and a molecular weight of 452.92 g/mol. Its IUPAC name is 2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid
PubChem CID159978901
Molecular FormulaC20H21ClN2O6S
Molecular Weight452.92 g/mol
Exact Mass452.08
IUPAC Name2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid
SMILESO=C(O)COCCNc1ccc(N2C[C@H](CCC(=O)c3ccc(Cl)s3)OC2=O)cc1
InChIInChI=1S/C20H21ClN2O6S/c21-18-8-7-17(30-18)16(24)6-5-15-11-23(20(27)29-15)14-3-1-13(2-4-14)22-9-10-28-12-19(25)26/h1-4,7-8,15,22H,5-6,9-12H2,(H,25,26)/t15-/m0/s1
InChIKeyFROLSDYYKPFGAB-HNNXBMFYSA-N
XLogP3.90
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid 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

5-chloro-N-[[3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 72539282
5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 91302859
(5S)-3-[4-[amino-[2-(dimethylamino)ethyl]amino]phenyl]-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,3-oxazolidin-2-one
CID 58256496
5-chloro-N-[[(5S)-3-[4-[3-(methylamino)propylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 59411228
N-[[(5S)-3-[4-[2-(1-aminopropylideneamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 70249921
(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-(4-ethyl-1-methyl-5,6-dihydro-1,2,4-triazin-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 58256540
(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-(4-isocyanophenyl)-1,3-oxazolidin-2-one;2-pyrrolidin-1-ylethanamine
CID 123979838
5-chloro-N-[[3-[4-(methoxyamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 142207900
5-chloro-N-[[(5S)-3-[3-fluoro-4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 163521025
(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[3-[2-(cyclobutylamino)ethoxy]-2-oxo-1-pyridinyl]-3-methylphenyl]-1,3-oxazolidin-2-one
CID 158023382
(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-[methylamino-[2-(methylamino)ethyl]amino]phenyl]-1,3-oxazolidin-2-one;(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-3-[4-(2-methyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 158989656
N-[[(5S)-3-[4-[(2Z)-2-(1-aminoethylidene)hydrazinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 172932964

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid (CID 159978901) is 2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid is O=C(O)COCCNc1ccc(N2C[C@H](CCC(=O)c3ccc(Cl)s3)OC2=O)cc1.
What is the InChIKey of 2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid?
The InChIKey is FROLSDYYKPFGAB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21ClN2O6S/c21-18-8-7-17(30-18)16(24)6-5-15-11-23(20(27)29-15)14-3-1-13(2-4-14)22-9-10-28-12-19(25)26/h1-4,7-8,15,22H,5-6,9-12H2,(H,25,26)/t15-/m0/s1.
What are the key properties of 2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid?
2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid has a molecular weight of 452.92 g/mol, XLogP of 3.90, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(5S)-5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid is sourced from PubChem (CID 159978901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).