2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide

C59H74N8O12S2 — CID 87089605

IUPAC2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N(C)Cc3ccc(CN4CC(O)C4)cc3)co2)C2CC2)c(C)c1.COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N(C)Cc3ccc(CN4CC(OC)C4)cc3)co2)C2CC2)c(C)c1
InChIInChI=1S/C30H38N4O6S.C29H36N4O6S/c1-20-12-25(38-4)13-21(2)29(20)41(36,37)34(24-10-11-24)18-28-31-27(19-40-28)30(35)32(3)14-22-6-8-23(9-7-22)15-33-16-26(17-33)39-5;1-19-11-25(38-4)12-20(2)28(19)40(36,37)33(23-9-10-23)17-27-30-26(18-39-27)29(35)31(3)13-21-5-7-22(8-6-21)14-32-15-24(34)16-32/h6-9,12-13,19,24,26H,10-11,14-18H2,1-5H3;5-8,11-12,18,23-24,34H,9-10,13-17H2,1-4H3
InChIKeyIAVPVLGUAKWTMT-UHFFFAOYSA-N
MW1151.42 g/mol
LogP6.86
Rot. Bonds23

About 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide

2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 87089605) has the molecular formula C59H74N8O12S2 and a molecular weight of 1151.42 g/mol. Its IUPAC name is 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID87089605
Molecular FormulaC59H74N8O12S2
Molecular Weight1151.42 g/mol
Exact Mass1150.49
IUPAC Name2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N(C)Cc3ccc(CN4CC(O)C4)cc3)co2)C2CC2)c(C)c1.COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N(C)Cc3ccc(CN4CC(OC)C4)cc3)co2)C2CC2)c(C)c1
InChIInChI=1S/C30H38N4O6S.C29H36N4O6S/c1-20-12-25(38-4)13-21(2)29(20)41(36,37)34(24-10-11-24)18-28-31-27(19-40-28)30(35)32(3)14-22-6-8-23(9-7-22)15-33-16-26(17-33)39-5;1-19-11-25(38-4)12-20(2)28(19)40(36,37)33(23-9-10-23)17-27-30-26(18-39-27)29(35)31(3)13-21-5-7-22(8-6-21)14-32-15-24(34)16-32/h6-9,12-13,19,24,26H,10-11,14-18H2,1-5H3;5-8,11-12,18,23-24,34H,9-10,13-17H2,1-4H3
InChIKeyIAVPVLGUAKWTMT-UHFFFAOYSA-N
XLogP6.86
TPSA221.84 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001151.42
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 87089605) is 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide is COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N(C)Cc3ccc(CN4CC(O)C4)cc3)co2)C2CC2)c(C)c1.COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N(C)Cc3ccc(CN4CC(OC)C4)cc3)co2)C2CC2)c(C)c1.
What is the InChIKey of 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is IAVPVLGUAKWTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O6S.C29H36N4O6S/c1-20-12-25(38-4)13-21(2)29(20)41(36,37)34(24-10-11-24)18-28-31-27(19-40-28)30(35)32(3)14-22-6-8-23(9-7-22)15-33-16-26(17-33)39-5;1-19-11-25(38-4)12-20(2)28(19)40(36,37)33(23-9-10-23)17-27-30-26(18-39-27)29(35)31(3)13-21-5-7-22(8-6-21)14-32-15-24(34)16-32/h6-9,12-13,19,24,26H,10-11,14-18H2,1-5H3;5-8,11-12,18,23-24,34H,9-10,13-17H2,1-4H3.
What are the key properties of 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide?
2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 1151.42 g/mol, XLogP of 6.86, 23 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide;2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 87089605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).