N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide

C15H19N3O6S — CID 113157855

IUPACN-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(c2cc(C)on2)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C15H19N3O6S/c1-10-7-14(17-24-10)18(25(4,20)21)9-15(19)16-12-6-5-11(22-2)8-13(12)23-3/h5-8H,9H2,1-4H3,(H,16,19)
InChIKeyNCNWRLJPBLFWST-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.40
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide

N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide (PubChem CID 113157855) has the molecular formula C15H19N3O6S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
PubChem CID113157855
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(c2cc(C)on2)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C15H19N3O6S/c1-10-7-14(17-24-10)18(25(4,20)21)9-15(19)16-12-6-5-11(22-2)8-13(12)23-3/h5-8H,9H2,1-4H3,(H,16,19)
InChIKeyNCNWRLJPBLFWST-UHFFFAOYSA-N
XLogP1.40
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157844
N-(2,4-dimethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30260907
N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157773
N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 863139
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 17052667
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157819
2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113148373
N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157845
2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113152964
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157887
2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113157726
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113155086

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide (CID 113157855) is N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide is COc1ccc(NC(=O)CN(c2cc(C)on2)S(C)(=O)=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
The InChIKey is NCNWRLJPBLFWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6S/c1-10-7-14(17-24-10)18(25(4,20)21)9-15(19)16-12-6-5-11(22-2)8-13(12)23-3/h5-8H,9H2,1-4H3,(H,16,19).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide has a molecular weight of 369.40 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide is sourced from PubChem (CID 113157855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).