N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C20H29N3O5S — CID 24980595

IUPACN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC(C)C
InChIInChI=1S/C20H29N3O5S/c1-7-16-19(14(6)28-22-16)20(24)21-17-12-15(10-11-18(17)27-13(4)5)29(25,26)23(8-2)9-3/h10-13H,7-9H2,1-6H3,(H,21,24)
InChIKeyOZVHDAZEKXGBCT-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.62
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 24980595) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID24980595
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC(C)C
InChIInChI=1S/C20H29N3O5S/c1-7-16-19(14(6)28-22-16)20(24)21-17-12-15(10-11-18(17)27-13(4)5)29(25,26)23(8-2)9-3/h10-13H,7-9H2,1-6H3,(H,21,24)
InChIKeyOZVHDAZEKXGBCT-UHFFFAOYSA-N
XLogP3.62
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 24980595) is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC(C)C.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OZVHDAZEKXGBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-7-16-19(14(6)28-22-16)20(24)21-17-12-15(10-11-18(17)27-13(4)5)29(25,26)23(8-2)9-3/h10-13H,7-9H2,1-6H3,(H,21,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24980595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).