N-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide

C16H20ClN3O5S — CID 3748432

IUPACN-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3CCOC3=O)CC2)cc1Cl
InChIInChI=1S/C16H20ClN3O5S/c1-11(21)18-15-3-2-13(10-14(15)17)26(23,24)19-6-4-12(5-7-19)20-8-9-25-16(20)22/h2-3,10,12H,4-9H2,1H3,(H,18,21)
InChIKeyJBXKRBJSBURWTL-UHFFFAOYSA-N
MW401.87 g/mol
LogP1.90
Rot. Bonds4

About N-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 3748432) has the molecular formula C16H20ClN3O5S and a molecular weight of 401.87 g/mol. Its IUPAC name is N-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID3748432
Molecular FormulaC16H20ClN3O5S
Molecular Weight401.87 g/mol
Exact Mass401.08
IUPAC NameN-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3CCOC3=O)CC2)cc1Cl
InChIInChI=1S/C16H20ClN3O5S/c1-11(21)18-15-3-2-13(10-14(15)17)26(23,24)19-6-4-12(5-7-19)20-8-9-25-16(20)22/h2-3,10,12H,4-9H2,1H3,(H,18,21)
InChIKeyJBXKRBJSBURWTL-UHFFFAOYSA-N
XLogP1.90
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 3748432) is N-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3CCOC3=O)CC2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is JBXKRBJSBURWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O5S/c1-11(21)18-15-3-2-13(10-14(15)17)26(23,24)19-6-4-12(5-7-19)20-8-9-25-16(20)22/h2-3,10,12H,4-9H2,1H3,(H,18,21).
What are the key properties of N-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 401.87 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 3748432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).