N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide

C30H34N4O3S — CID 58835099

IUPACN-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide
SMILESCNC(=O)Cc1ccc(Sc2ccc(CN3CCC(N4C(=O)OC[C@H]4c4ccccc4)CC3)c(C)n2)cc1
InChIInChI=1S/C30H34N4O3S/c1-21-24(10-13-29(32-21)38-26-11-8-22(9-12-26)18-28(35)31-2)19-33-16-14-25(15-17-33)34-27(20-37-30(34)36)23-6-4-3-5-7-23/h3-13,25,27H,14-20H2,1-2H3,(H,31,35)/t27-/m0/s1
InChIKeyNGKRKACFPHZYAA-MHZLTWQESA-N
MW530.69 g/mol
LogP4.99
Rot. Bonds8

About N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide

N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide (PubChem CID 58835099) has the molecular formula C30H34N4O3S and a molecular weight of 530.69 g/mol. Its IUPAC name is N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide
PubChem CID58835099
Molecular FormulaC30H34N4O3S
Molecular Weight530.69 g/mol
Exact Mass530.24
IUPAC NameN-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide
SMILESCNC(=O)Cc1ccc(Sc2ccc(CN3CCC(N4C(=O)OC[C@H]4c4ccccc4)CC3)c(C)n2)cc1
InChIInChI=1S/C30H34N4O3S/c1-21-24(10-13-29(32-21)38-26-11-8-22(9-12-26)18-28(35)31-2)19-33-16-14-25(15-17-33)34-27(20-37-30(34)36)23-6-4-3-5-7-23/h3-13,25,27H,14-20H2,1-2H3,(H,31,35)/t27-/m0/s1
InChIKeyNGKRKACFPHZYAA-MHZLTWQESA-N
XLogP4.99
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.69
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide?
The IUPAC name of N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide (CID 58835099) is N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide?
The canonical SMILES for N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide is CNC(=O)Cc1ccc(Sc2ccc(CN3CCC(N4C(=O)OC[C@H]4c4ccccc4)CC3)c(C)n2)cc1.
What is the InChIKey of N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide?
The InChIKey is NGKRKACFPHZYAA-MHZLTWQESA-N. The full InChI is InChI=1S/C30H34N4O3S/c1-21-24(10-13-29(32-21)38-26-11-8-22(9-12-26)18-28(35)31-2)19-33-16-14-25(15-17-33)34-27(20-37-30(34)36)23-6-4-3-5-7-23/h3-13,25,27H,14-20H2,1-2H3,(H,31,35)/t27-/m0/s1.
What are the key properties of N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide?
N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide has a molecular weight of 530.69 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide is sourced from PubChem (CID 58835099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).