N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide

C14H17N3O4S — CID 100775650

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)co1
InChIInChI=1S/C14H17N3O4S/c1-9-5-6-11(22(19,20)17(3)4)7-12(9)16-14(18)13-8-21-10(2)15-13/h5-8H,1-4H3,(H,16,18)
InChIKeyXRFIEBXPKNCWDO-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.79
Rot. Bonds4

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 100775650) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID100775650
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)co1
InChIInChI=1S/C14H17N3O4S/c1-9-5-6-11(22(19,20)17(3)4)7-12(9)16-14(18)13-8-21-10(2)15-13/h5-8H,1-4H3,(H,16,18)
InChIKeyXRFIEBXPKNCWDO-UHFFFAOYSA-N
XLogP1.79
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide
CID 63678439
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2812461
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
CID 2813889
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55406152
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771568
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
CID 26774002
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 95781104
2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide
CID 26522089
2-chloro-5-(dimethylsulfamoyl)-N-(5-fluoro-2-methylphenyl)benzamide
CID 4650179
N-(2,3-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464286

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide (CID 100775650) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)co1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is XRFIEBXPKNCWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-9-5-6-11(22(19,20)17(3)4)7-12(9)16-14(18)13-8-21-10(2)15-13/h5-8H,1-4H3,(H,16,18).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 100775650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).