1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea

C108H140Cl2F8N18O28S6 — CID 158794547

IUPAC1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea
SMILESCC(=O)N1C(=O)CC1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(Cl)cc1C(C)C.CC(=O)N1C(=O)CC1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(F)cc1C(C)C.CC(=O)N1C(=O)CC1S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C.CC(=O)N1C(=O)CC1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)C1CC(=O)N1CC(F)(F)F.CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)C1CC(=O)N1CC(F)(F)F
InChIInChI=1S/C18H23ClF3N3O4S.C18H24ClN3O5S.C18H23F4N3O4S.C18H24FN3O5S.C18H21N3O5S.C18H25N3O5S/c1-9(2)12-5-11(19)6-13(10(3)4)16(12)23-17(27)24-30(28,29)15-7-14(26)25(15)8-18(20,21)22;1-9(2)13-6-12(19)7-14(10(3)4)17(13)20-18(25)21-28(26,27)16-8-15(24)22(16)11(5)23;1-9(2)12-5-11(19)6-13(10(3)4)16(12)23-17(27)24-30(28,29)15-7-14(26)25(15)8-18(20,21)22;1-9(2)13-6-12(19)7-14(10(3)4)17(13)20-18(25)21-28(26,27)16-8-15(24)22(16)11(5)23;1-10(22)21-15(23)9-16(21)27(25,26)20-18(24)19-17-13-6-2-4-11(13)8-12-5-3-7-14(12)17;1-10(2)13-7-6-8-14(11(3)4)17(13)19-18(24)20-27(25,26)16-9-15(23)21(16)12(5)22/h5-6,9-10,15H,7-8H2,1-4H3,(H2,23,24,27);6-7,9-10,16H,8H2,1-5H3,(H2,20,21,25);5-6,9-10,15H,7-8H2,1-4H3,(H2,23,24,27);6-7,9-10,16H,8H2,1-5H3,(H2,20,21,25);8,16H,2-7,9H2,1H3,(H2,19,20,24);6-8,10-11,16H,9H2,1-5H3,(H2,19,20,24)
InChIKeyISRYBYPFSONWAD-UHFFFAOYSA-N
MW2553.70 g/mol
LogP17.28
Rot. Bonds30

About 1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea

1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea (PubChem CID 158794547) has the molecular formula C108H140Cl2F8N18O28S6 and a molecular weight of 2553.70 g/mol. Its IUPAC name is 1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea.

Molecular Properties

Compound Name1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea
PubChem CID158794547
Molecular FormulaC108H140Cl2F8N18O28S6
Molecular Weight2553.70 g/mol
Exact Mass2550.77
IUPAC Name1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea
SMILESCC(=O)N1C(=O)CC1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(Cl)cc1C(C)C.CC(=O)N1C(=O)CC1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(F)cc1C(C)C.CC(=O)N1C(=O)CC1S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C.CC(=O)N1C(=O)CC1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)C1CC(=O)N1CC(F)(F)F.CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)C1CC(=O)N1CC(F)(F)F
InChIInChI=1S/C18H23ClF3N3O4S.C18H24ClN3O5S.C18H23F4N3O4S.C18H24FN3O5S.C18H21N3O5S.C18H25N3O5S/c1-9(2)12-5-11(19)6-13(10(3)4)16(12)23-17(27)24-30(28,29)15-7-14(26)25(15)8-18(20,21)22;1-9(2)13-6-12(19)7-14(10(3)4)17(13)20-18(25)21-28(26,27)16-8-15(24)22(16)11(5)23;1-9(2)12-5-11(19)6-13(10(3)4)16(12)23-17(27)24-30(28,29)15-7-14(26)25(15)8-18(20,21)22;1-9(2)13-6-12(19)7-14(10(3)4)17(13)20-18(25)21-28(26,27)16-8-15(24)22(16)11(5)23;1-10(22)21-15(23)9-16(21)27(25,26)20-18(24)19-17-13-6-2-4-11(13)8-12-5-3-7-14(12)17;1-10(2)13-7-6-8-14(11(3)4)17(13)19-18(24)20-27(25,26)16-9-15(23)21(16)12(5)22/h5-6,9-10,15H,7-8H2,1-4H3,(H2,23,24,27);6-7,9-10,16H,8H2,1-5H3,(H2,20,21,25);5-6,9-10,15H,7-8H2,1-4H3,(H2,23,24,27);6-7,9-10,16H,8H2,1-5H3,(H2,20,21,25);8,16H,2-7,9H2,1H3,(H2,19,20,24);6-8,10-11,16H,9H2,1-5H3,(H2,19,20,24)
InChIKeyISRYBYPFSONWAD-UHFFFAOYSA-N
XLogP17.28
TPSA641.76 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002553.70
LogP ≤ 517.28
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Analyze 1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea with MolForge

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Related Compounds

1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-5-oxopyrrolidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(3-oxocyclohexyl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-oxocyclohexyl)sulfonylurea
CID 157454215
1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea
CID 137402427
1-(1-acetyl-2-oxopiperidin-4-yl)sulfonyl-3-[2-[2-[5-fluoro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonylcarbamoylamino]-3-propan-2-ylphenyl]propyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea
CID 137403093
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]sulfonylurea
CID 137404063
1-[4-fluoro-2-[1-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-6-oxopiperidin-4-yl]propan-2-yl]-6-propan-2-ylphenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea
CID 137402964
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-oxo-1-(2,2,2-trifluoroethyl)azetidin-3-yl]sulfonylurea
CID 137402992
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-methylazetidin-3-yl)sulfonylurea
CID 155121072
1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(1-methylpiperidin-4-yl)sulfonylurea
CID 137404121
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-methyl-2-oxoazetidin-3-yl)sulfonylurea
CID 137402995
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]sulfonylurea
CID 152746787
1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea)
CID 158258432
1-(6-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(6-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;bis(1-(6-acetylpyridazin-3-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(6-methylpyridazin-3-yl)sulfonylurea)
CID 162115178

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea?
The IUPAC name of 1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea (CID 158794547) is 1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea.
What is the SMILES notation for 1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea?
The canonical SMILES for 1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea is CC(=O)N1C(=O)CC1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(Cl)cc1C(C)C.CC(=O)N1C(=O)CC1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(F)cc1C(C)C.CC(=O)N1C(=O)CC1S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C.CC(=O)N1C(=O)CC1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)C1CC(=O)N1CC(F)(F)F.CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)C1CC(=O)N1CC(F)(F)F.
What is the InChIKey of 1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea?
The InChIKey is ISRYBYPFSONWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClF3N3O4S.C18H24ClN3O5S.C18H23F4N3O4S.C18H24FN3O5S.C18H21N3O5S.C18H25N3O5S/c1-9(2)12-5-11(19)6-13(10(3)4)16(12)23-17(27)24-30(28,29)15-7-14(26)25(15)8-18(20,21)22;1-9(2)13-6-12(19)7-14(10(3)4)17(13)20-18(25)21-28(26,27)16-8-15(24)22(16)11(5)23;1-9(2)12-5-11(19)6-13(10(3)4)16(12)23-17(27)24-30(28,29)15-7-14(26)25(15)8-18(20,21)22;1-9(2)13-6-12(19)7-14(10(3)4)17(13)20-18(25)21-28(26,27)16-8-15(24)22(16)11(5)23;1-10(22)21-15(23)9-16(21)27(25,26)20-18(24)19-17-13-6-2-4-11(13)8-12-5-3-7-14(12)17;1-10(2)13-7-6-8-14(11(3)4)17(13)19-18(24)20-27(25,26)16-9-15(23)21(16)12(5)22/h5-6,9-10,15H,7-8H2,1-4H3,(H2,23,24,27);6-7,9-10,16H,8H2,1-5H3,(H2,20,21,25);5-6,9-10,15H,7-8H2,1-4H3,(H2,23,24,27);6-7,9-10,16H,8H2,1-5H3,(H2,20,21,25);8,16H,2-7,9H2,1H3,(H2,19,20,24);6-8,10-11,16H,9H2,1-5H3,(H2,19,20,24).
What are the key properties of 1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea?
1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea has a molecular weight of 2553.70 g/mol, XLogP of 17.28, 30 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;1-(1-acetyl-4-oxoazetidin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[4-oxo-1-(2,2,2-trifluoroethyl)azetidin-2-yl]sulfonylurea is sourced from PubChem (CID 158794547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).