5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C38H36Cl2N6O10S2 — CID 86566657

IUPAC5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(COCCN(C(=O)c1cc(Cl)cs1)c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1)NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
InChIInChI=1S/C38H36Cl2N6O10S2/c39-23-15-31(57-22-23)36(50)44(25-3-7-27(8-4-25)46-19-29(56-38(46)52)17-42-35(49)30-9-10-32(40)58-30)12-14-53-20-33(47)41-16-28-18-45(37(51)55-28)26-5-1-24(2-6-26)43-11-13-54-21-34(43)48/h1-10,15,22,28-29H,11-14,16-21H2,(H,41,47)(H,42,49)/t28-,29-/m0/s1
InChIKeyFITASDNWQVTAID-VMPREFPWSA-N
MW871.78 g/mol
LogP5.04
Rot. Bonds15

About 5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 86566657) has the molecular formula C38H36Cl2N6O10S2 and a molecular weight of 871.78 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID86566657
Molecular FormulaC38H36Cl2N6O10S2
Molecular Weight871.78 g/mol
Exact Mass870.13
IUPAC Name5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(COCCN(C(=O)c1cc(Cl)cs1)c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1)NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
InChIInChI=1S/C38H36Cl2N6O10S2/c39-23-15-31(57-22-23)36(50)44(25-3-7-27(8-4-25)46-19-29(56-38(46)52)17-42-35(49)30-9-10-32(40)58-30)12-14-53-20-33(47)41-16-28-18-45(37(51)55-28)26-5-1-24(2-6-26)43-11-13-54-21-34(43)48/h1-10,15,22,28-29H,11-14,16-21H2,(H,41,47)(H,42,49)/t28-,29-/m0/s1
InChIKeyFITASDNWQVTAID-VMPREFPWSA-N
XLogP5.04
TPSA176.36 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500871.78
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 86566657) is 5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(COCCN(C(=O)c1cc(Cl)cs1)c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1)NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1.
What is the InChIKey of 5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is FITASDNWQVTAID-VMPREFPWSA-N. The full InChI is InChI=1S/C38H36Cl2N6O10S2/c39-23-15-31(57-22-23)36(50)44(25-3-7-27(8-4-25)46-19-29(56-38(46)52)17-42-35(49)30-9-10-32(40)58-30)12-14-53-20-33(47)41-16-28-18-45(37(51)55-28)26-5-1-24(2-6-26)43-11-13-54-21-34(43)48/h1-10,15,22,28-29H,11-14,16-21H2,(H,41,47)(H,42,49)/t28-,29-/m0/s1.
What are the key properties of 5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 871.78 g/mol, XLogP of 5.04, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(5S)-3-[4-[(4-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 86566657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).