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

C32H31N5O6S — CID 22103627

IUPAC3-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
SMILESCC(=O)Nc1cc(C(=O)N(C)Cc2cc(-c3ncco3)ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)ccc1C
InChIInChI=1S/C32H31N5O6S/c1-19-10-11-24(17-28(19)34-22(4)38)32(39)37(5)18-25-16-23(31-33-14-15-42-31)12-13-26(25)27-8-6-7-9-29(27)44(40,41)36-30-20(2)21(3)35-43-30/h6-17,36H,18H2,1-5H3,(H,34,38)
InChIKeyAWFZHEQEWJOQSD-UHFFFAOYSA-N
MW613.70 g/mol
LogP5.95
Rot. Bonds9

About 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

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 (PubChem CID 22103627) has the molecular formula C32H31N5O6S and a molecular weight of 613.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID22103627
Molecular FormulaC32H31N5O6S
Molecular Weight613.70 g/mol
Exact Mass613.20
IUPAC Name3-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
SMILESCC(=O)Nc1cc(C(=O)N(C)Cc2cc(-c3ncco3)ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)ccc1C
InChIInChI=1S/C32H31N5O6S/c1-19-10-11-24(17-28(19)34-22(4)38)32(39)37(5)18-25-16-23(31-33-14-15-42-31)12-13-26(25)27-8-6-7-9-29(27)44(40,41)36-30-20(2)21(3)35-43-30/h6-17,36H,18H2,1-5H3,(H,34,38)
InChIKeyAWFZHEQEWJOQSD-UHFFFAOYSA-N
XLogP5.95
TPSA147.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.70
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]-3,5-dimethoxy-N-methylbenzamide
CID 22103539
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
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
3-cyclohexyl-N-[2-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]ethyl]-N-methylpropanamide
CID 154448678

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1cc(C(=O)N(C)Cc2cc(-c3ncco3)ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)ccc1C.
What is the InChIKey of 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?
The InChIKey is AWFZHEQEWJOQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O6S/c1-19-10-11-24(17-28(19)34-22(4)38)32(39)37(5)18-25-16-23(31-33-14-15-42-31)12-13-26(25)27-8-6-7-9-29(27)44(40,41)36-30-20(2)21(3)35-43-30/h6-17,36H,18H2,1-5H3,(H,34,38).
What are the key properties of 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?
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 has a molecular weight of 613.70 g/mol, XLogP of 5.95, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22103627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).