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

C20H21Cl2N3O4S — CID 21070752

IUPAC5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(CCCCCl)Nc1ccc(N2CC(CNC(=O)c3ccc(Cl)s3)OC2=O)cc1
InChIInChI=1S/C20H21Cl2N3O4S/c21-10-2-1-3-18(26)24-13-4-6-14(7-5-13)25-12-15(29-20(25)28)11-23-19(27)16-8-9-17(22)30-16/h4-9,15H,1-3,10-12H2,(H,23,27)(H,24,26)
InChIKeyPKEZUVZCWCPZHR-UHFFFAOYSA-N
MW470.38 g/mol
LogP4.50
Rot. Bonds9

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

5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 21070752) has the molecular formula C20H21Cl2N3O4S and a molecular weight of 470.38 g/mol. Its IUPAC name is 5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID21070752
Molecular FormulaC20H21Cl2N3O4S
Molecular Weight470.38 g/mol
Exact Mass469.06
IUPAC Name5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(CCCCCl)Nc1ccc(N2CC(CNC(=O)c3ccc(Cl)s3)OC2=O)cc1
InChIInChI=1S/C20H21Cl2N3O4S/c21-10-2-1-3-18(26)24-13-4-6-14(7-5-13)25-12-15(29-20(25)28)11-23-19(27)16-8-9-17(22)30-16/h4-9,15H,1-3,10-12H2,(H,23,27)(H,24,26)
InChIKeyPKEZUVZCWCPZHR-UHFFFAOYSA-N
XLogP4.50
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-[4-(dibutylcarbamoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 71626912
5-chloro-N-[[3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 72539282
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-[[(5S)-3-[4-[3-(methylamino)propylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 59411228
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-(2-oxopyrrolidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10202260
5-chloro-N-[[3-[4-[2-(methyliminomethylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 91302859
5-chloro-N-[[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58618158
N-[[(5S)-3-[4-[(2-hydroxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-carboxamide
CID 148860038
N-[[3-[4-[(carbamoylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 21070785
5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 57496659

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 21070752) is 5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(CCCCCl)Nc1ccc(N2CC(CNC(=O)c3ccc(Cl)s3)OC2=O)cc1.
What is the InChIKey of 5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is PKEZUVZCWCPZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O4S/c21-10-2-1-3-18(26)24-13-4-6-14(7-5-13)25-12-15(29-20(25)28)11-23-19(27)16-8-9-17(22)30-16/h4-9,15H,1-3,10-12H2,(H,23,27)(H,24,26).
What are the key properties of 5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 470.38 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-[4-(5-chloropentanoylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 21070752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).