5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C19H22ClN5O3S — CID 91302859

IUPAC5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESC/N=C/NCCNc1ccc(N2CC(CNC(=O)c3ccc(Cl)s3)OC2=O)cc1
InChIInChI=1S/C19H22ClN5O3S/c1-21-12-22-8-9-23-13-2-4-14(5-3-13)25-11-15(28-19(25)27)10-24-18(26)16-6-7-17(20)29-16/h2-7,12,15,23H,8-11H2,1H3,(H,21,22)(H,24,26)
InChIKeyPUXWMVUZIAHUIR-UHFFFAOYSA-N
MW435.94 g/mol
LogP2.82
Rot. Bonds9

About 5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 91302859) has the molecular formula C19H22ClN5O3S and a molecular weight of 435.94 g/mol. Its IUPAC name is 5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID91302859
Molecular FormulaC19H22ClN5O3S
Molecular Weight435.94 g/mol
Exact Mass435.11
IUPAC Name5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESC/N=C/NCCNc1ccc(N2CC(CNC(=O)c3ccc(Cl)s3)OC2=O)cc1
InChIInChI=1S/C19H22ClN5O3S/c1-21-12-22-8-9-23-13-2-4-14(5-3-13)25-11-15(28-19(25)27)10-24-18(26)16-6-7-17(20)29-16/h2-7,12,15,23H,8-11H2,1H3,(H,21,22)(H,24,26)
InChIKeyPUXWMVUZIAHUIR-UHFFFAOYSA-N
XLogP2.82
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.94
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[[3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 72539282
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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
5-chloro-N-[[3-[4-(methoxyamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 142207900
N-[[(5S)-3-[4-[(2Z)-2-(1-aminoethylidene)hydrazinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 172932964
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-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070752
5-bromo-N-[[(5S)-2-oxo-3-[4-(propylamino)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 59411203
5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10202260
5-chloro-N-[[(5S)-3-[4-(dibutylcarbamoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 71626912
5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 57496659
5-chloro-N-[[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58618158

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 91302859) is 5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is C/N=C/NCCNc1ccc(N2CC(CNC(=O)c3ccc(Cl)s3)OC2=O)cc1.
What is the InChIKey of 5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is PUXWMVUZIAHUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O3S/c1-21-12-22-8-9-23-13-2-4-14(5-3-13)25-11-15(28-19(25)27)10-24-18(26)16-6-7-17(20)29-16/h2-7,12,15,23H,8-11H2,1H3,(H,21,22)(H,24,26).
What are the key properties of 5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 435.94 g/mol, XLogP of 2.82, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 91302859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).