2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen

C36H43N5O7S — CID 170592124

IUPAC2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen
SMILESCCCCc1nc(C)c(CC(=O)N2CCOCC2)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c2oc(C)cc12.[H][H]
InChIInChI=1S/C36H41N5O7S.H2/c1-6-7-12-32-37-24(4)29(20-33(42)40-15-17-46-18-16-40)36(43)41(32)21-26-13-14-28(34-30(26)19-22(2)47-34)27-10-8-9-11-31(27)49(44,45)39-35-23(3)25(5)48-38-35;/h8-11,13-14,19H,6-7,12,15-18,20-21H2,1-5H3,(H,38,39);1H
InChIKeyHSGBMXIJYGVDKT-UHFFFAOYSA-N
MW689.84 g/mol
LogP5.72
Rot. Bonds11

About 2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen

2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 170592124) has the molecular formula C36H43N5O7S and a molecular weight of 689.84 g/mol. Its IUPAC name is 2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen
PubChem CID170592124
Molecular FormulaC36H43N5O7S
Molecular Weight689.84 g/mol
Exact Mass689.29
IUPAC Name2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen
SMILESCCCCc1nc(C)c(CC(=O)N2CCOCC2)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c2oc(C)cc12.[H][H]
InChIInChI=1S/C36H41N5O7S.H2/c1-6-7-12-32-37-24(4)29(20-33(42)40-15-17-46-18-16-40)36(43)41(32)21-26-13-14-28(34-30(26)19-22(2)47-34)27-10-8-9-11-31(27)49(44,45)39-35-23(3)25(5)48-38-35;/h8-11,13-14,19H,6-7,12,15-18,20-21H2,1-5H3,(H,38,39);1H
InChIKeyHSGBMXIJYGVDKT-UHFFFAOYSA-N
XLogP5.72
TPSA149.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.84
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen with MolForge

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Related Compounds

5-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)-hydroxyamino]sulfanylphenyl]benzoic acid
CID 170592249
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-(ethoxymethyl)-4-[[5-(morpholin-4-ylmethyl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzenesulfonamide
CID 170413576
2-[4-[(3-butyl-1-cyclohexyl-5-oxo-1,2,4-triazol-4-yl)methyl]-2-methylphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 167442636
2-butyl-1-[[1-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]indol-3-yl]methyl]benzimidazole-5-carboxylic acid
CID 170417854
2-butyl-5-[2-(2,7-diazaspiro[3.4]octan-2-yl)-2-oxoethyl]-3-[[1-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]sulfanylphenyl]indol-3-yl]methyl]-6-methylpyrimidin-4-one
CID 170592094
N-[[5-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-N-methylbutanamide
CID 54470438
2-[4-[[2-butyl-8-(cyclohexanecarbonyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-3-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 170414112
3-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide
CID 69182547
3-[2-[4-[[4-methyl-6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrimidin-1-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 142534060
2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 170353636
2-[3-[[2-butyl-6-(trifluoromethoxy)benzimidazol-1-yl]methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 170417550
2-[3-[[2-butyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 170417416

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen?
The IUPAC name of 2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen (CID 170592124) is 2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen?
The canonical SMILES for 2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen is CCCCc1nc(C)c(CC(=O)N2CCOCC2)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c2oc(C)cc12.[H][H].
What is the InChIKey of 2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen?
The InChIKey is HSGBMXIJYGVDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N5O7S.H2/c1-6-7-12-32-37-24(4)29(20-33(42)40-15-17-46-18-16-40)36(43)41(32)21-26-13-14-28(34-30(26)19-22(2)47-34)27-10-8-9-11-31(27)49(44,45)39-35-23(3)25(5)48-38-35;/h8-11,13-14,19H,6-7,12,15-18,20-21H2,1-5H3,(H,38,39);1H.
What are the key properties of 2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen?
2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 689.84 g/mol, XLogP of 5.72, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidin-1-yl]methyl]-2-methyl-1-benzofuran-7-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 170592124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).