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

C18H25N3O4S — CID 87043361

IUPAC5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2nc(C)c(C)o2)c1
InChIInChI=1S/C18H25N3O4S/c1-6-21(7-2)26(23,24)15-9-8-12(3)16(10-15)18(22)19-11-17-20-13(4)14(5)25-17/h8-10H,6-7,11H2,1-5H3,(H,19,22)
InChIKeyCXNPTUQZBUIZKE-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.56
Rot. Bonds7

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

5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide (PubChem CID 87043361) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide
PubChem CID87043361
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2nc(C)c(C)o2)c1
InChIInChI=1S/C18H25N3O4S/c1-6-21(7-2)26(23,24)15-9-8-12(3)16(10-15)18(22)19-11-17-20-13(4)14(5)25-17/h8-10H,6-7,11H2,1-5H3,(H,19,22)
InChIKeyCXNPTUQZBUIZKE-UHFFFAOYSA-N
XLogP2.56
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 87043542
5-(diethylsulfamoyl)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 48731409
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464
N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 9165368
5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide
CID 9080458
5-(diethylsulfamoyl)-2-methylbenzoyl chloride
CID 15639076
N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119496133
5-(diethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-2-methylbenzamide
CID 60565590
5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 26444084
5-(diethylsulfamoyl)-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide
CID 56543559
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide (CID 87043361) is 5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2nc(C)c(C)o2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide?
The InChIKey is CXNPTUQZBUIZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-6-21(7-2)26(23,24)15-9-8-12(3)16(10-15)18(22)19-11-17-20-13(4)14(5)25-17/h8-10H,6-7,11H2,1-5H3,(H,19,22).
What are the key properties of 5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide?
5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide has a molecular weight of 379.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 87043361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).