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

C27H30N4O5S — CID 22103730

IUPACN-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1cc(-c2ncco2)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)C(C)C
InChIInChI=1S/C27H30N4O5S/c1-6-25(32)31(17(2)3)16-21-15-20(27-28-13-14-35-27)11-12-22(21)23-9-7-8-10-24(23)37(33,34)30-26-18(4)19(5)29-36-26/h7-15,17,30H,6,16H2,1-5H3
InChIKeyWMWPXHNXVWHOLE-UHFFFAOYSA-N
MW522.63 g/mol
LogP5.56
Rot. Bonds9

About 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

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 (PubChem CID 22103730) has the molecular formula C27H30N4O5S and a molecular weight of 522.63 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]-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N-propan-2-ylpropanamide
PubChem CID22103730
Molecular FormulaC27H30N4O5S
Molecular Weight522.63 g/mol
Exact Mass522.19
IUPAC NameN-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1cc(-c2ncco2)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)C(C)C
InChIInChI=1S/C27H30N4O5S/c1-6-25(32)31(17(2)3)16-21-15-20(27-28-13-14-35-27)11-12-22(21)23-9-7-8-10-24(23)37(33,34)30-26-18(4)19(5)29-36-26/h7-15,17,30H,6,16H2,1-5H3
InChIKeyWMWPXHNXVWHOLE-UHFFFAOYSA-N
XLogP5.56
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.63
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
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-(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-[[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,2,5-trimethylpyrazole-3-carboxamide
CID 22103781
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
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-(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-[(3-phenylpyrazol-1-yl)methyl]phenyl]benzenesulfonamide
CID 22103491
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)-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]-N-propan-2-ylpropanamide?
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]-N-propan-2-ylpropanamide (CID 22103730) is 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.
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]-N-propan-2-ylpropanamide?
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]-N-propan-2-ylpropanamide is CCC(=O)N(Cc1cc(-c2ncco2)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)C(C)C.
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]-N-propan-2-ylpropanamide?
The InChIKey is WMWPXHNXVWHOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5S/c1-6-25(32)31(17(2)3)16-21-15-20(27-28-13-14-35-27)11-12-22(21)23-9-7-8-10-24(23)37(33,34)30-26-18(4)19(5)29-36-26/h7-15,17,30H,6,16H2,1-5H3.
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]-N-propan-2-ylpropanamide?
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 has a molecular weight of 522.63 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 7 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]-N-propan-2-ylpropanamide is sourced from PubChem (CID 22103730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).