N-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C24H27N3O5S — CID 20598823

IUPACN-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3=CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2)C(=O)O1
InChIInChI=1S/C24H27N3O5S/c1-17-3-9-23(10-4-17)33(30,31)26-13-11-20(12-14-26)19-5-7-21(8-6-19)27-16-22(32-24(27)29)15-25-18(2)28/h3-11,22H,12-16H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeyZIYZZXIWWOXLEB-QFIPXVFZSA-N
MW469.56 g/mol
LogP2.93
Rot. Bonds6

About N-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 20598823) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID20598823
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC NameN-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3=CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2)C(=O)O1
InChIInChI=1S/C24H27N3O5S/c1-17-3-9-23(10-4-17)33(30,31)26-13-11-20(12-14-26)19-5-7-21(8-6-19)27-16-22(32-24(27)29)15-25-18(2)28/h3-11,22H,12-16H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeyZIYZZXIWWOXLEB-QFIPXVFZSA-N
XLogP2.93
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2-Anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2338780
2-[(4-Methylphenyl)sulfonylamino]acetic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
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CID 3649208
1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4968758
[2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]-3-phenylpropyl] N-phenylcarbamate
CID 6096714
2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]ethyl N-(3,4-dimethylphenyl)carbamate
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[1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 6217722
1-(4-ethylphenyl)-5-oxo-N-{4-[(tetrahydrofuran-2-ylmethyl)sulfamoyl]phenyl}pyrrolidine-3-carboxamide
CID 6497572
N-(4-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 9207628
(S)-N-[[3-[4-(3,6-dihydro-1,1-dioxido-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
CID 18684838

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 20598823) is N-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3=CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ZIYZZXIWWOXLEB-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-17-3-9-23(10-4-17)33(30,31)26-13-11-20(12-14-26)19-5-7-21(8-6-19)27-16-22(32-24(27)29)15-25-18(2)28/h3-11,22H,12-16H2,1-2H3,(H,25,28)/t22-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 469.56 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 20598823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).