N-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide

C27H27N3O5S — CID 57285683

IUPACN-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1COC(=O)N1c1ccc(C2=CC(S(=O)(=O)c3ccc4ccccc4c3)NCC2)cc1
InChIInChI=1S/C27H27N3O5S/c1-18(31)29-16-24-17-35-27(32)30(24)23-9-6-20(7-10-23)22-12-13-28-26(15-22)36(33,34)25-11-8-19-4-2-3-5-21(19)14-25/h2-11,14-15,24,26,28H,12-13,16-17H2,1H3,(H,29,31)
InChIKeyRYFPAYDGSBFOAP-UHFFFAOYSA-N
MW505.60 g/mol
LogP3.48
Rot. Bonds6

About N-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide

N-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide (PubChem CID 57285683) has the molecular formula C27H27N3O5S and a molecular weight of 505.60 g/mol. Its IUPAC name is N-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
PubChem CID57285683
Molecular FormulaC27H27N3O5S
Molecular Weight505.60 g/mol
Exact Mass505.17
IUPAC NameN-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1COC(=O)N1c1ccc(C2=CC(S(=O)(=O)c3ccc4ccccc4c3)NCC2)cc1
InChIInChI=1S/C27H27N3O5S/c1-18(31)29-16-24-17-35-27(32)30(24)23-9-6-20(7-10-23)22-12-13-28-26(15-22)36(33,34)25-11-8-19-4-2-3-5-21(19)14-25/h2-11,14-15,24,26,28H,12-13,16-17H2,1H3,(H,29,31)
InChIKeyRYFPAYDGSBFOAP-UHFFFAOYSA-N
XLogP3.48
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide (CID 57285683) is N-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide is CC(=O)NCC1COC(=O)N1c1ccc(C2=CC(S(=O)(=O)c3ccc4ccccc4c3)NCC2)cc1.
What is the InChIKey of N-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The InChIKey is RYFPAYDGSBFOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5S/c1-18(31)29-16-24-17-35-27(32)30(24)23-9-6-20(7-10-23)22-12-13-28-26(15-22)36(33,34)25-11-8-19-4-2-3-5-21(19)14-25/h2-11,14-15,24,26,28H,12-13,16-17H2,1H3,(H,29,31).
What are the key properties of N-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
N-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide has a molecular weight of 505.60 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide is sourced from PubChem (CID 57285683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).