N'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide

C22H26ClN3O5S — CID 18561444

IUPACN'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCc2ccccc2Cl)c(C)c1
InChIInChI=1S/C22H26ClN3O5S/c1-14-10-15(2)20(16(3)11-14)32(29,30)26-8-9-31-19(26)13-25-22(28)21(27)24-12-17-6-4-5-7-18(17)23/h4-7,10-11,19H,8-9,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyQDMMYRGMBKCKCT-UHFFFAOYSA-N
MW479.99 g/mol
LogP2.04
Rot. Bonds6

About N'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide

N'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (PubChem CID 18561444) has the molecular formula C22H26ClN3O5S and a molecular weight of 479.99 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
PubChem CID18561444
Molecular FormulaC22H26ClN3O5S
Molecular Weight479.99 g/mol
Exact Mass479.13
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCc2ccccc2Cl)c(C)c1
InChIInChI=1S/C22H26ClN3O5S/c1-14-10-15(2)20(16(3)11-14)32(29,30)26-8-9-31-19(26)13-25-22(28)21(27)24-12-17-6-4-5-7-18(17)23/h4-7,10-11,19H,8-9,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyQDMMYRGMBKCKCT-UHFFFAOYSA-N
XLogP2.04
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 42399569
N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 42399537
N'-[(2-chlorophenyl)methyl]-N-[[(2S)-3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41140352
N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 42399449
N'-(pyridin-4-ylmethyl)-N-[[(2S)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41092794
N'-(pyridin-4-ylmethyl)-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 12005861
N'-[(3-methoxyphenyl)methyl]-N-[[(2R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 41130597
N-propyl-N'-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 18562479
N-[[(2S)-3-(2,5-dimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-[(2-methylphenyl)methyl]oxamide
CID 41131178
N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 39894799
N-[[(2R)-3-(2,5-dimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 41131169
N'-[(4-chlorophenyl)methyl]-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 18561526

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (CID 18561444) is N'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is Cc1cc(C)c(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCc2ccccc2Cl)c(C)c1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The InChIKey is QDMMYRGMBKCKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O5S/c1-14-10-15(2)20(16(3)11-14)32(29,30)26-8-9-31-19(26)13-25-22(28)21(27)24-12-17-6-4-5-7-18(17)23/h4-7,10-11,19H,8-9,12-13H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
N'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide has a molecular weight of 479.99 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 18561444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).