N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide

C17H25N3O5S — CID 18561535

IUPACN-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
SMILESCc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC(C)C)cc1
InChIInChI=1S/C17H25N3O5S/c1-12(2)10-18-16(21)17(22)19-11-15-20(8-9-25-15)26(23,24)14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeySIYGPMBUIQPXMW-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.23
Rot. Bonds6

About N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide

N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide (PubChem CID 18561535) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
PubChem CID18561535
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC NameN-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
SMILESCc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC(C)C)cc1
InChIInChI=1S/C17H25N3O5S/c1-12(2)10-18-16(21)17(22)19-11-15-20(8-9-25-15)26(23,24)14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeySIYGPMBUIQPXMW-UHFFFAOYSA-N
XLogP0.23
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide?
The IUPAC name of N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide (CID 18561535) is N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide.
What is the SMILES notation for N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide?
The canonical SMILES for N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide is Cc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCC(C)C)cc1.
What is the InChIKey of N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide?
The InChIKey is SIYGPMBUIQPXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-12(2)10-18-16(21)17(22)19-11-15-20(8-9-25-15)26(23,24)14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide?
N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide has a molecular weight of 383.47 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide is sourced from PubChem (CID 18561535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).