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

C24H31N3O8S — CID 12005849

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1C
InChIInChI=1S/C24H31N3O8S/c1-16-13-18(6-8-19(16)32-2)36(30,31)27-11-12-35-22(27)15-26-24(29)23(28)25-10-9-17-5-7-20(33-3)21(14-17)34-4/h5-8,13-14,22H,9-12,15H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyLNPKOCCRIZMTFU-UHFFFAOYSA-N
MW521.59 g/mol
LogP0.84
Rot. Bonds10

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (PubChem CID 12005849) has the molecular formula C24H31N3O8S and a molecular weight of 521.59 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
PubChem CID12005849
Molecular FormulaC24H31N3O8S
Molecular Weight521.59 g/mol
Exact Mass521.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1C
InChIInChI=1S/C24H31N3O8S/c1-16-13-18(6-8-19(16)32-2)36(30,31)27-11-12-35-22(27)15-26-24(29)23(28)25-10-9-17-5-7-20(33-3)21(14-17)34-4/h5-8,13-14,22H,9-12,15H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyLNPKOCCRIZMTFU-UHFFFAOYSA-N
XLogP0.84
TPSA132.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.59
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (CID 12005849) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is COc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The InChIKey is LNPKOCCRIZMTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O8S/c1-16-13-18(6-8-19(16)32-2)36(30,31)27-11-12-35-22(27)15-26-24(29)23(28)25-10-9-17-5-7-20(33-3)21(14-17)34-4/h5-8,13-14,22H,9-12,15H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide has a molecular weight of 521.59 g/mol, XLogP of 0.84, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[[3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 12005849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).