N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide

C31H30N4O7S — CID 22103539

IUPACN-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)Cc2cc(-c3ncco3)ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c1
InChIInChI=1S/C31H30N4O7S/c1-19-20(2)33-42-29(19)34-43(37,38)28-9-7-6-8-27(28)26-11-10-21(30-32-12-13-41-30)14-23(26)18-35(3)31(36)22-15-24(39-4)17-25(16-22)40-5/h6-17,34H,18H2,1-5H3
InChIKeyOGZBUNZNCKSTLJ-UHFFFAOYSA-N
MW602.67 g/mol
LogP5.70
Rot. Bonds10

About N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide

N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide (PubChem CID 22103539) has the molecular formula C31H30N4O7S and a molecular weight of 602.67 g/mol. Its IUPAC name is N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide
PubChem CID22103539
Molecular FormulaC31H30N4O7S
Molecular Weight602.67 g/mol
Exact Mass602.18
IUPAC NameN-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)Cc2cc(-c3ncco3)ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c1
InChIInChI=1S/C31H30N4O7S/c1-19-20(2)33-42-29(19)34-43(37,38)28-9-7-6-8-27(28)26-11-10-21(30-32-12-13-41-30)14-23(26)18-35(3)31(36)22-15-24(39-4)17-25(16-22)40-5/h6-17,34H,18H2,1-5H3
InChIKeyOGZBUNZNCKSTLJ-UHFFFAOYSA-N
XLogP5.70
TPSA137.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.67
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,2-trimethylpropanamide
CID 11731054
3-acetamido-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,4-dimethylbenzamide
CID 22103627
N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 22103781
2-[2-[[benzyl(methyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 22103582
N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N-propan-2-ylpropanamide
CID 22103730
N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N-methyl-1,4-dithiaspiro[4.5]decane-8-carboxamide
CID 22103647
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 22103791
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 22103640
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[(2-propan-2-ylcyclopropyl)methyl]phenyl]benzenesulfonamide
CID 22103494
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[(3-phenylpyrazol-1-yl)methyl]phenyl]benzenesulfonamide
CID 22103491
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide
CID 67593997
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(1,3-oxazol-4-yl)phenyl]benzenesulfonamide
CID 22103572

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide?
The IUPAC name of N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide (CID 22103539) is N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide is COc1cc(OC)cc(C(=O)N(C)Cc2cc(-c3ncco3)ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c1.
What is the InChIKey of N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide?
The InChIKey is OGZBUNZNCKSTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O7S/c1-19-20(2)33-42-29(19)34-43(37,38)28-9-7-6-8-27(28)26-11-10-21(30-32-12-13-41-30)14-23(26)18-35(3)31(36)22-15-24(39-4)17-25(16-22)40-5/h6-17,34H,18H2,1-5H3.
What are the key properties of N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide?
N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide has a molecular weight of 602.67 g/mol, XLogP of 5.70, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 22103539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).