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

C27H29N3O6S2 — CID 69363299

IUPACethyl 2-[[methyl(phenyl)sulfamoyl]-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccc(OCc2nc(-c3cccs3)oc2C)cc1)S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C27H29N3O6S2/c1-4-34-26(31)18-30(38(32,33)29(3)22-9-6-5-7-10-22)17-21-12-14-23(15-13-21)35-19-24-20(2)36-27(28-24)25-11-8-16-37-25/h5-16H,4,17-19H2,1-3H3
InChIKeyPKMUWUZSGXGEPM-UHFFFAOYSA-N
MW555.68 g/mol
LogP5.04
Rot. Bonds12

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

ethyl 2-[[methyl(phenyl)sulfamoyl]-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate (PubChem CID 69363299) has the molecular formula C27H29N3O6S2 and a molecular weight of 555.68 g/mol. Its IUPAC name is ethyl 2-[[methyl(phenyl)sulfamoyl]-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[methyl(phenyl)sulfamoyl]-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate
PubChem CID69363299
Molecular FormulaC27H29N3O6S2
Molecular Weight555.68 g/mol
Exact Mass555.15
IUPAC Nameethyl 2-[[methyl(phenyl)sulfamoyl]-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccc(OCc2nc(-c3cccs3)oc2C)cc1)S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C27H29N3O6S2/c1-4-34-26(31)18-30(38(32,33)29(3)22-9-6-5-7-10-22)17-21-12-14-23(15-13-21)35-19-24-20(2)36-27(28-24)25-11-8-16-37-25/h5-16H,4,17-19H2,1-3H3
InChIKeyPKMUWUZSGXGEPM-UHFFFAOYSA-N
XLogP5.04
TPSA102.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.68
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[methyl(phenyl)sulfamoyl]-[[4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 59003719
ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[methyl(phenyl)sulfamoyl]amino]acetate
CID 69361683
2-[[methyl(phenyl)sulfamoyl]-[[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetic acid
CID 11505256
ethyl 2-[dimethylsulfamoyl-[[3-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate
CID 69361063
ethyl 2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[methyl(phenyl)sulfamoyl]amino]acetate
CID 69361787
N,2,2-trimethyl-N-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propanamide
CID 112827990
2-[[(4-chlorophenyl)-methylsulfamoyl]-[[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetic acid
CID 11657392
ethyl 2-[dimethylsulfamoyl-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetate
CID 69361123
2-[dimethylsulfamoyl-[[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetic acid
CID 11504651
(E)-N-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenyldecan-1-imine
CID 18379788
2-(4-ethoxyphenyl)-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110641317
N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 24627442

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[methyl(phenyl)sulfamoyl]-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate?
The IUPAC name of ethyl 2-[[methyl(phenyl)sulfamoyl]-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate (CID 69363299) is ethyl 2-[[methyl(phenyl)sulfamoyl]-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[methyl(phenyl)sulfamoyl]-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate?
The canonical SMILES for ethyl 2-[[methyl(phenyl)sulfamoyl]-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate is CCOC(=O)CN(Cc1ccc(OCc2nc(-c3cccs3)oc2C)cc1)S(=O)(=O)N(C)c1ccccc1.
What is the InChIKey of ethyl 2-[[methyl(phenyl)sulfamoyl]-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate?
The InChIKey is PKMUWUZSGXGEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O6S2/c1-4-34-26(31)18-30(38(32,33)29(3)22-9-6-5-7-10-22)17-21-12-14-23(15-13-21)35-19-24-20(2)36-27(28-24)25-11-8-16-37-25/h5-16H,4,17-19H2,1-3H3.
What are the key properties of ethyl 2-[[methyl(phenyl)sulfamoyl]-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate?
ethyl 2-[[methyl(phenyl)sulfamoyl]-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate has a molecular weight of 555.68 g/mol, XLogP of 5.04, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[methyl(phenyl)sulfamoyl]-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate is sourced from PubChem (CID 69363299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).