4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate

C121H115I15N8O31S3 — CID 158196925

About 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate

4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate (PubChem CID 158196925) has the molecular formula C121H115I15N8O31S3 and a molecular weight of 4177.04 g/mol. Its IUPAC name is 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate.

Molecular Properties

• Compound Name: 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate
• PubChem CID: 158196925
• Molecular Formula: C121H115I15N8O31S3
• Molecular Weight: 4177.04 g/mol
• Exact Mass: 4175.25
• IUPAC Name: 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate
• SMILES: CC(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.CN(C)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1.COC(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.COc1ccc(Oc2c(I)cc(CC(=O)NS(C)(=O)=O)cc2I)cc1.COc1ccc(Oc2c(I)cc(CCC(=O)NS(C)(=O)=O)cc2I)cc1.CS(=O)(=O)NC(=O)CCc1cc(I)c(Oc2ccc(O)c(C(=O)Nc3ccccc3)c2)c(I)c1.N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
• InChI: InChI=1S/C23H20I2N2O6S.C17H17I2NO5S.C17H17I2NO5.C17H17I2NO4.C16H14I3NO3.C16H15I2NO5S.C15H15I2NO3/c1-34(31,32)27-21(29)10-7-14-11-18(24)22(19(25)12-14)33-16-8-9-20(28)17(13-16)23(30)26-15-5-3-2-4-6-15;1-24-12-4-6-13(7-5-12)25-17-14(18)9-11(10-15(17)19)3-8-16(21)20-26(2,22)23;1-24-17(23)20-11(9-21)6-10-7-14(18)16(15(19)8-10)25-13-4-2-12(22)3-5-13;1-10(22)20-12(9-21)6-11-7-15(18)17(16(19)8-11)24-14-4-2-13(23)3-5-14;1-20(2)15(22)7-9-5-12(18)16(13(19)6-9)23-10-3-4-14(21)11(17)8-10;1-23-11-3-5-12(6-4-11)24-16-13(17)7-10(8-14(16)18)9-15(20)19-25(2,21)22;16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h2-6,8-9,11-13,28H,7,10H2,1H3,(H,26,30)(H,27,29);4-7,9-10H,3,8H2,1-2H3,(H,20,21);2-5,7-8,11,21-22H,6,9H2,1H3,(H,20,23);2-5,7-8,12,21,23H,6,9H2,1H3,(H,20,22);3-6,8,21H,7H2,1-2H3;3-8H,9H2,1-2H3,(H,19,20);1-4,6-7,10,19-20H,5,8,18H2/t;;11-;12-;;;10-/m..00..0/s1
• InChIKey: GALITZVVKSOJFA-NFSPQNFASA-N
• XLogP: 26.65
• TPSA: 577.49 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 32
• Rotatable Bonds: 42
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4177.04
LogP ≤ 5	26.65
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate?

The IUPAC name of 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate (CID 158196925) is 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate.

What is the SMILES notation for 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate?

The canonical SMILES for 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate is CC(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.CN(C)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1.COC(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.COc1ccc(Oc2c(I)cc(CC(=O)NS(C)(=O)=O)cc2I)cc1.COc1ccc(Oc2c(I)cc(CCC(=O)NS(C)(=O)=O)cc2I)cc1.CS(=O)(=O)NC(=O)CCc1cc(I)c(Oc2ccc(O)c(C(=O)Nc3ccccc3)c2)c(I)c1.N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.

What is the InChIKey of 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate?

The InChIKey is GALITZVVKSOJFA-NFSPQNFASA-N. The full InChI is InChI=1S/C23H20I2N2O6S.C17H17I2NO5S.C17H17I2NO5.C17H17I2NO4.C16H14I3NO3.C16H15I2NO5S.C15H15I2NO3/c1-34(31,32)27-21(29)10-7-14-11-18(24)22(19(25)12-14)33-16-8-9-20(28)17(13-16)23(30)26-15-5-3-2-4-6-15;1-24-12-4-6-13(7-5-12)25-17-14(18)9-11(10-15(17)19)3-8-16(21)20-26(2,22)23;1-24-17(23)20-11(9-21)6-10-7-14(18)16(15(19)8-10)25-13-4-2-12(22)3-5-13;1-10(22)20-12(9-21)6-11-7-15(18)17(16(19)8-11)24-14-4-2-13(23)3-5-14;1-20(2)15(22)7-9-5-12(18)16(13(19)6-9)23-10-3-4-14(21)11(17)8-10;1-23-11-3-5-12(6-4-11)24-16-13(17)7-10(8-14(16)18)9-15(20)19-25(2,21)22;16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h2-6,8-9,11-13,28H,7,10H2,1H3,(H,26,30)(H,27,29);4-7,9-10H,3,8H2,1-2H3,(H,20,21);2-5,7-8,11,21-22H,6,9H2,1H3,(H,20,23);2-5,7-8,12,21,23H,6,9H2,1H3,(H,20,22);3-6,8,21H,7H2,1-2H3;3-8H,9H2,1-2H3,(H,19,20);1-4,6-7,10,19-20H,5,8,18H2/t;;11-;12-;;;10-/m..00..0/s1.

What are the key properties of 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate?

4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate has a molecular weight of 4177.04 g/mol, XLogP of 26.65, 42 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;5-[2,6-diiodo-4-[3-(methanesulfonamido)-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide;2-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylacetamide;3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;methyl N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]carbamate is sourced from PubChem (CID 158196925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).