1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane

C69H89BrN6O12S4Sn — CID 162063489

IUPAC1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane
SMILESC.CCCC[Sn](CCCC)(CCCC)c1csc(OC)n1.COc1ccc(-c2cccc(Oc3ccc(-c4csc(OC)n4)cc3S(=O)(=O)NC(=O)NC(C)(C)C)c2)cc1.COc1ccc(-c2cccc(Oc3ccc(Br)cc3S(=O)(=O)NC(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C28H29N3O6S2.C24H25BrN2O5S.C4H4NOS.3C4H9.CH4.Sn/c1-28(2,3)30-26(32)31-39(33,34)25-16-20(23-17-38-27(29-23)36-5)11-14-24(25)37-22-8-6-7-19(15-22)18-9-12-21(35-4)13-10-18;1-24(2,3)26-23(28)27-33(29,30)22-15-18(25)10-13-21(22)32-20-7-5-6-17(14-20)16-8-11-19(31-4)12-9-16;1-6-4-5-2-3-7-4;3*1-3-4-2;;/h6-17H,1-5H3,(H2,30,31,32);5-15H,1-4H3,(H2,26,27,28);3H,1H3;3*1,3-4H2,2H3;1H4;
InChIKeyZADMVFYKNDOXJM-UHFFFAOYSA-N
MW1521.38 g/mol
LogP17.62
Rot. Bonds25

About 1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane

1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane (PubChem CID 162063489) has the molecular formula C69H89BrN6O12S4Sn and a molecular weight of 1521.38 g/mol. Its IUPAC name is 1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane.

Molecular Properties

Compound Name1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane
PubChem CID162063489
Molecular FormulaC69H89BrN6O12S4Sn
Molecular Weight1521.38 g/mol
Exact Mass1520.36
IUPAC Name1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane
SMILESC.CCCC[Sn](CCCC)(CCCC)c1csc(OC)n1.COc1ccc(-c2cccc(Oc3ccc(-c4csc(OC)n4)cc3S(=O)(=O)NC(=O)NC(C)(C)C)c2)cc1.COc1ccc(-c2cccc(Oc3ccc(Br)cc3S(=O)(=O)NC(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C28H29N3O6S2.C24H25BrN2O5S.C4H4NOS.3C4H9.CH4.Sn/c1-28(2,3)30-26(32)31-39(33,34)25-16-20(23-17-38-27(29-23)36-5)11-14-24(25)37-22-8-6-7-19(15-22)18-9-12-21(35-4)13-10-18;1-24(2,3)26-23(28)27-33(29,30)22-15-18(25)10-13-21(22)32-20-7-5-6-17(14-20)16-8-11-19(31-4)12-9-16;1-6-4-5-2-3-7-4;3*1-3-4-2;;/h6-17H,1-5H3,(H2,30,31,32);5-15H,1-4H3,(H2,26,27,28);3H,1H3;3*1,3-4H2,2H3;1H4;
InChIKeyZADMVFYKNDOXJM-UHFFFAOYSA-N
XLogP17.62
TPSA231.70 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001521.38
LogP ≤ 517.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane with MolForge

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Related Compounds

3-(tert-butylcarbamoylsulfamoyl)-4-[3-(4-methoxyphenyl)phenoxy]-N-methylbenzamide
CID 71815220
3-(tert-butylcarbamoylsulfamoyl)-4-[3-[4-[[3-(tert-butylcarbamoylsulfamoyl)-4-[3-(4-methoxyphenyl)phenoxy]anilino]methoxy]phenyl]phenoxy]-N,N-dimethylbenzamide
CID 123899749
1-tert-butyl-3-[4-[3-(4-methoxyphenyl)phenoxy]-1-oxidopyridin-1-ium-3-yl]sulfonylurea;1-tert-butyl-3-[[4-[3-(4-methoxyphenyl)phenoxy]-3-pyridinyl]sulfonyl]urea;methane
CID 158862085
methyl 5-bromo-2-[3-(4-ethoxyphenyl)phenoxy]benzoate
CID 139491181
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203181
methyl 6-[3-[2-(tert-butylcarbamoylsulfamoyl)-4-nitrophenoxy]phenyl]hex-5-ynoate
CID 71815931
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203710
N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 60642120
4-(2-bromo-4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19203178
N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117941
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
2-(4-ethylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196482

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane?
The IUPAC name of 1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane (CID 162063489) is 1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane.
What is the SMILES notation for 1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane?
The canonical SMILES for 1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane is C.CCCC[Sn](CCCC)(CCCC)c1csc(OC)n1.COc1ccc(-c2cccc(Oc3ccc(-c4csc(OC)n4)cc3S(=O)(=O)NC(=O)NC(C)(C)C)c2)cc1.COc1ccc(-c2cccc(Oc3ccc(Br)cc3S(=O)(=O)NC(=O)NC(C)(C)C)c2)cc1.
What is the InChIKey of 1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane?
The InChIKey is ZADMVFYKNDOXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O6S2.C24H25BrN2O5S.C4H4NOS.3C4H9.CH4.Sn/c1-28(2,3)30-26(32)31-39(33,34)25-16-20(23-17-38-27(29-23)36-5)11-14-24(25)37-22-8-6-7-19(15-22)18-9-12-21(35-4)13-10-18;1-24(2,3)26-23(28)27-33(29,30)22-15-18(25)10-13-21(22)32-20-7-5-6-17(14-20)16-8-11-19(31-4)12-9-16;1-6-4-5-2-3-7-4;3*1-3-4-2;;/h6-17H,1-5H3,(H2,30,31,32);5-15H,1-4H3,(H2,26,27,28);3H,1H3;3*1,3-4H2,2H3;1H4;.
What are the key properties of 1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane?
1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane has a molecular weight of 1521.38 g/mol, XLogP of 17.62, 25 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[3-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-3-tert-butylurea;1-tert-butyl-3-[2-[3-(4-methoxyphenyl)phenoxy]-5-(2-methoxy-1,3-thiazol-4-yl)phenyl]sulfonylurea;methane;tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane is sourced from PubChem (CID 162063489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).