5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide

C20H15Cl2FN4O4S — CID 141449810

IUPAC5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide
SMILESNC(=O)c1ccc(Cl)n1-c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c(F)c1
InChIInChI=1S/C20H15Cl2FN4O4S/c21-16-5-3-14(18(24)28)27(16)10-1-2-13(12(23)7-10)26-9-11(31-20(26)30)8-25-19(29)15-4-6-17(22)32-15/h1-7,11H,8-9H2,(H2,24,28)(H,25,29)/t11-/m0/s1
InChIKeyQACZDKOWDLSJBA-NSHDSACASA-N
MW497.34 g/mol
LogP3.84
Rot. Bonds6

About 5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide

5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide (PubChem CID 141449810) has the molecular formula C20H15Cl2FN4O4S and a molecular weight of 497.34 g/mol. Its IUPAC name is 5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide
PubChem CID141449810
Molecular FormulaC20H15Cl2FN4O4S
Molecular Weight497.34 g/mol
Exact Mass496.02
IUPAC Name5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide
SMILESNC(=O)c1ccc(Cl)n1-c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c(F)c1
InChIInChI=1S/C20H15Cl2FN4O4S/c21-16-5-3-14(18(24)28)27(16)10-1-2-13(12(23)7-10)26-9-11(31-20(26)30)8-25-19(29)15-4-6-17(22)32-15/h1-7,11H,8-9H2,(H2,24,28)(H,25,29)/t11-/m0/s1
InChIKeyQACZDKOWDLSJBA-NSHDSACASA-N
XLogP3.84
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide with MolForge

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Related Compounds

5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide
CID 141449821
5-chloro-N-[[3-[3-fluoro-4-(2-oxo-1,3-oxazinan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 118150777
N-[[3-(4-amino-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 90654078
5-chloro-N-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070746
5-chloro-N-[[(5S)-3-[3-fluoro-4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 163521025
N-[[3-[4-[(carbamoylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 21070785
N-[[3-[4-[1-(bromomethyl)cyclopropyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 67154788
5-chloro-N-[[3-(3-chloro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070740
5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10158209
5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 143663879
CID 158887683
CID 158887683
5-chloro-N-[[3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 72539282

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide?
The IUPAC name of 5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide (CID 141449810) is 5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide?
The canonical SMILES for 5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide is NC(=O)c1ccc(Cl)n1-c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c(F)c1.
What is the InChIKey of 5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide?
The InChIKey is QACZDKOWDLSJBA-NSHDSACASA-N. The full InChI is InChI=1S/C20H15Cl2FN4O4S/c21-16-5-3-14(18(24)28)27(16)10-1-2-13(12(23)7-10)26-9-11(31-20(26)30)8-25-19(29)15-4-6-17(22)32-15/h1-7,11H,8-9H2,(H2,24,28)(H,25,29)/t11-/m0/s1.
What are the key properties of 5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide?
5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide has a molecular weight of 497.34 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 141449810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).