4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C124H122N16O25S5 — CID 159325160

IUPAC4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)N1CCOCC1.COc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)ccc1OCC(=O)N1CCOCC1.COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)NC4CCC4)c(OC)c3)n2)cc1.COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)NCc4ccccc4)c(OC)c3)n2)cc1.COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)NCc4ccccn4)c(OC)c3)n2)cc1
InChIInChI=1S/C27H25N3O5S.C26H24N4O5S.2C24H25N3O5S.C23H23N3O5S/c1-33-21-11-8-19(9-12-21)22-17-36-27(29-22)30-26(32)20-10-13-23(24(14-20)34-2)35-16-25(31)28-15-18-6-4-3-5-7-18;1-33-20-9-6-17(7-10-20)21-16-36-26(29-21)30-25(32)18-8-11-22(23(13-18)34-2)35-15-24(31)28-14-19-5-3-4-12-27-19;1-16-3-5-17(6-4-16)19-15-33-24(25-19)26-23(29)18-7-8-20(21(13-18)30-2)32-14-22(28)27-9-11-31-12-10-27;1-30-18-9-6-15(7-10-18)19-14-33-24(26-19)27-23(29)16-8-11-20(21(12-16)31-2)32-13-22(28)25-17-4-3-5-17;1-29-20-13-17(7-8-19(20)31-14-21(27)26-9-11-30-12-10-26)22(28)25-23-24-18(15-32-23)16-5-3-2-4-6-16/h3-14,17H,15-16H2,1-2H3,(H,28,31)(H,29,30,32);3-13,16H,14-15H2,1-2H3,(H,28,31)(H,29,30,32);3-8,13,15H,9-12,14H2,1-2H3,(H,25,26,29);6-12,14,17H,3-5,13H2,1-2H3,(H,25,28)(H,26,27,29);2-8,13,15H,9-12,14H2,1H3,(H,24,25,28)
InChIKeyLEGONPJHHLADME-UHFFFAOYSA-N
MW2396.76 g/mol
LogP20.00
Rot. Bonds43

About 4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 159325160) has the molecular formula C124H122N16O25S5 and a molecular weight of 2396.76 g/mol. Its IUPAC name is 4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID159325160
Molecular FormulaC124H122N16O25S5
Molecular Weight2396.76 g/mol
Exact Mass2394.74
IUPAC Name4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)N1CCOCC1.COc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)ccc1OCC(=O)N1CCOCC1.COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)NC4CCC4)c(OC)c3)n2)cc1.COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)NCc4ccccc4)c(OC)c3)n2)cc1.COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)NCc4ccccn4)c(OC)c3)n2)cc1
InChIInChI=1S/C27H25N3O5S.C26H24N4O5S.2C24H25N3O5S.C23H23N3O5S/c1-33-21-11-8-19(9-12-21)22-17-36-27(29-22)30-26(32)20-10-13-23(24(14-20)34-2)35-16-25(31)28-15-18-6-4-3-5-7-18;1-33-20-9-6-17(7-10-20)21-16-36-26(29-21)30-25(32)18-8-11-22(23(13-18)34-2)35-15-24(31)28-14-19-5-3-4-12-27-19;1-16-3-5-17(6-4-16)19-15-33-24(25-19)26-23(29)18-7-8-20(21(13-18)30-2)32-14-22(28)27-9-11-31-12-10-27;1-30-18-9-6-15(7-10-18)19-14-33-24(26-19)27-23(29)16-8-11-20(21(12-16)31-2)32-13-22(28)25-17-4-3-5-17;1-29-20-13-17(7-8-19(20)31-14-21(27)26-9-11-30-12-10-26)22(28)25-23-24-18(15-32-23)16-5-3-2-4-6-16/h3-14,17H,15-16H2,1-2H3,(H,28,31)(H,29,30,32);3-13,16H,14-15H2,1-2H3,(H,28,31)(H,29,30,32);3-8,13,15H,9-12,14H2,1-2H3,(H,25,26,29);6-12,14,17H,3-5,13H2,1-2H3,(H,25,28)(H,26,27,29);2-8,13,15H,9-12,14H2,1H3,(H,24,25,28)
InChIKeyLEGONPJHHLADME-UHFFFAOYSA-N
XLogP20.00
TPSA489.21 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds43
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002396.76
LogP ≤ 520.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze 4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 159325160) is 4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)N1CCOCC1.COc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)ccc1OCC(=O)N1CCOCC1.COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)NC4CCC4)c(OC)c3)n2)cc1.COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)NCc4ccccc4)c(OC)c3)n2)cc1.COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)NCc4ccccn4)c(OC)c3)n2)cc1.
What is the InChIKey of 4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is LEGONPJHHLADME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5S.C26H24N4O5S.2C24H25N3O5S.C23H23N3O5S/c1-33-21-11-8-19(9-12-21)22-17-36-27(29-22)30-26(32)20-10-13-23(24(14-20)34-2)35-16-25(31)28-15-18-6-4-3-5-7-18;1-33-20-9-6-17(7-10-20)21-16-36-26(29-21)30-25(32)18-8-11-22(23(13-18)34-2)35-15-24(31)28-14-19-5-3-4-12-27-19;1-16-3-5-17(6-4-16)19-15-33-24(25-19)26-23(29)18-7-8-20(21(13-18)30-2)32-14-22(28)27-9-11-31-12-10-27;1-30-18-9-6-15(7-10-18)19-14-33-24(26-19)27-23(29)16-8-11-20(21(12-16)31-2)32-13-22(28)25-17-4-3-5-17;1-29-20-13-17(7-8-19(20)31-14-21(27)26-9-11-30-12-10-26)22(28)25-23-24-18(15-32-23)16-5-3-2-4-6-16/h3-14,17H,15-16H2,1-2H3,(H,28,31)(H,29,30,32);3-13,16H,14-15H2,1-2H3,(H,28,31)(H,29,30,32);3-8,13,15H,9-12,14H2,1-2H3,(H,25,26,29);6-12,14,17H,3-5,13H2,1-2H3,(H,25,28)(H,26,27,29);2-8,13,15H,9-12,14H2,1H3,(H,24,25,28).
What are the key properties of 4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 2396.76 g/mol, XLogP of 20.00, 43 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;4-[2-(cyclobutylamino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide;3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide;3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide;3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 159325160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).