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

C16H21N3O4S — CID 87043542

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2nc(C)c(C)o2)c1
InChIInChI=1S/C16H21N3O4S/c1-5-18-24(21,22)13-7-6-10(2)14(8-13)16(20)17-9-15-19-11(3)12(4)23-15/h6-8,18H,5,9H2,1-4H3,(H,17,20)
InChIKeyGRRHHVCIZWUNGD-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.83
Rot. Bonds6

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 87043542) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID87043542
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2nc(C)c(C)o2)c1
InChIInChI=1S/C16H21N3O4S/c1-5-18-24(21,22)13-7-6-10(2)14(8-13)16(20)17-9-15-19-11(3)12(4)23-15/h6-8,18H,5,9H2,1-4H3,(H,17,20)
InChIKeyGRRHHVCIZWUNGD-UHFFFAOYSA-N
XLogP1.83
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide
CID 87043361
5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86980193
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 51101805
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119640149
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 39573261
5-(ethylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbenzamide
CID 37485846

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide (CID 87043542) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2nc(C)c(C)o2)c1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is GRRHHVCIZWUNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-5-18-24(21,22)13-7-6-10(2)14(8-13)16(20)17-9-15-19-11(3)12(4)23-15/h6-8,18H,5,9H2,1-4H3,(H,17,20).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 351.43 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 87043542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).