methyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate

C27H35N3O6S — CID 69445847

IUPACmethyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate
SMILESCOC(=O)CN(C(C)c1cccc(OCc2nc(-c3ccc(C)cc3)oc2C)c1)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C27H35N3O6S/c1-18(2)29(6)37(32,33)30(16-26(31)34-7)20(4)23-9-8-10-24(15-23)35-17-25-21(5)36-27(28-25)22-13-11-19(3)12-14-22/h8-15,18,20H,16-17H2,1-7H3
InChIKeyIVCDWXNWFLALKK-UHFFFAOYSA-N
MW529.66 g/mol
LogP4.66
Rot. Bonds11

About methyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate

methyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate (PubChem CID 69445847) has the molecular formula C27H35N3O6S and a molecular weight of 529.66 g/mol. Its IUPAC name is methyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate
PubChem CID69445847
Molecular FormulaC27H35N3O6S
Molecular Weight529.66 g/mol
Exact Mass529.22
IUPAC Namemethyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate
SMILESCOC(=O)CN(C(C)c1cccc(OCc2nc(-c3ccc(C)cc3)oc2C)c1)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C27H35N3O6S/c1-18(2)29(6)37(32,33)30(16-26(31)34-7)20(4)23-9-8-10-24(15-23)35-17-25-21(5)36-27(28-25)22-13-11-19(3)12-14-22/h8-15,18,20H,16-17H2,1-7H3
InChIKeyIVCDWXNWFLALKK-UHFFFAOYSA-N
XLogP4.66
TPSA102.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.66
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[1-[3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-pyrrolidin-1-ylsulfonylamino]acetate
CID 90893209
2-[dimethylsulfamoyl-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]-3-methylsulfonylbutanoic acid
CID 69397990
methyl (2S)-3-methyl-2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methylamino]butanoate
CID 69362281
2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(methylsulfamoyl)amino]acetic acid
CID 91438051
4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916648
4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 53213294
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916591
methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-pyrrolidin-1-ylsulfonylamino]acetate
CID 69361242
methyl 2-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-pyrrolidin-1-ylsulfonylamino]acetate
CID 69363364
2-[2-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-pyrrolidin-1-ylsulfonylamino]acetic acid
CID 69360965
N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916670
methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(4-methylpiperazin-1-yl)sulfonylamino]acetate
CID 69362577

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate?
The IUPAC name of methyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate (CID 69445847) is methyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate.
What is the SMILES notation for methyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate?
The canonical SMILES for methyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate is COC(=O)CN(C(C)c1cccc(OCc2nc(-c3ccc(C)cc3)oc2C)c1)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of methyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate?
The InChIKey is IVCDWXNWFLALKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O6S/c1-18(2)29(6)37(32,33)30(16-26(31)34-7)20(4)23-9-8-10-24(15-23)35-17-25-21(5)36-27(28-25)22-13-11-19(3)12-14-22/h8-15,18,20H,16-17H2,1-7H3.
What are the key properties of methyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate?
methyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate has a molecular weight of 529.66 g/mol, XLogP of 4.66, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate is sourced from PubChem (CID 69445847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).