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

C28H33N5O4S — CID 58835132

IUPACN-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide
SMILESCc1nc(Nc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1
InChIInChI=1S/C28H33N5O4S/c1-20-22(8-13-27(29-20)30-23-9-11-24(12-10-23)31-38(2,35)36)18-32-16-14-25(15-17-32)33-26(19-37-28(33)34)21-6-4-3-5-7-21/h3-13,25-26,31H,14-19H2,1-2H3,(H,29,30)/t26-/m0/s1
InChIKeyPMLCRSOITJSJKK-SANMLTNESA-N
MW535.67 g/mol
LogP4.66
Rot. Bonds8

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

N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide (PubChem CID 58835132) has the molecular formula C28H33N5O4S and a molecular weight of 535.67 g/mol. Its IUPAC name is N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide
PubChem CID58835132
Molecular FormulaC28H33N5O4S
Molecular Weight535.67 g/mol
Exact Mass535.23
IUPAC NameN-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide
SMILESCc1nc(Nc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1
InChIInChI=1S/C28H33N5O4S/c1-20-22(8-13-27(29-20)30-23-9-11-24(12-10-23)31-38(2,35)36)18-32-16-14-25(15-17-32)33-26(19-37-28(33)34)21-6-4-3-5-7-21/h3-13,25-26,31H,14-19H2,1-2H3,(H,29,30)/t26-/m0/s1
InChIKeyPMLCRSOITJSJKK-SANMLTNESA-N
XLogP4.66
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.67
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

[4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl] acetate
CID 69494254
2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
CID 69493099
2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid
CID 58835058
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
2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile
CID 69494383
3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
CID 69493531
(4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 58835105
2-[4-[[5-[[4-[(4R)-4-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]sulfanyl]phenoxy]acetic acid
CID 58835231
(4R)-3-[1-[[6-(3,4-dihydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidine-2-thione
CID 89380470
6-methyl-4-[[6-methyl-5-[[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]cyclohexa-1,3-diene-1-carboxylic acid
CID 163701572
N-[4-[[5-[[4-(3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide
CID 69493464
4-[[5-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-4-methylpyrimidin-2-yl]amino]benzoic acid
CID 69494583

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide (CID 58835132) is N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide is Cc1nc(Nc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1.
What is the InChIKey of N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide?
The InChIKey is PMLCRSOITJSJKK-SANMLTNESA-N. The full InChI is InChI=1S/C28H33N5O4S/c1-20-22(8-13-27(29-20)30-23-9-11-24(12-10-23)31-38(2,35)36)18-32-16-14-25(15-17-32)33-26(19-37-28(33)34)21-6-4-3-5-7-21/h3-13,25-26,31H,14-19H2,1-2H3,(H,29,30)/t26-/m0/s1.
What are the key properties of N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide?
N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide has a molecular weight of 535.67 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 58835132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).