2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H13Cl2N3O4S — CID 113156975

IUPAC2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(c2c(Cl)cccc2Cl)S(C)(=O)=O)no1
InChIInChI=1S/C13H13Cl2N3O4S/c1-8-6-11(17-22-8)16-12(19)7-18(23(2,20)21)13-9(14)4-3-5-10(13)15/h3-6H,7H2,1-2H3,(H,16,17,19)
InChIKeyJHUWSTUXTYXDGZ-UHFFFAOYSA-N
MW378.24 g/mol
LogP2.69
Rot. Bonds5

About 2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 113156975) has the molecular formula C13H13Cl2N3O4S and a molecular weight of 378.24 g/mol. Its IUPAC name is 2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID113156975
Molecular FormulaC13H13Cl2N3O4S
Molecular Weight378.24 g/mol
Exact Mass377.00
IUPAC Name2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(c2c(Cl)cccc2Cl)S(C)(=O)=O)no1
InChIInChI=1S/C13H13Cl2N3O4S/c1-8-6-11(17-22-8)16-12(19)7-18(23(2,20)21)13-9(14)4-3-5-10(13)15/h3-6H,7H2,1-2H3,(H,16,17,19)
InChIKeyJHUWSTUXTYXDGZ-UHFFFAOYSA-N
XLogP2.69
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113154961
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113156926
2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113157049
methyl 3-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156002
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113142554
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113155086
N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155395
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113143240
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157819
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157887
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51282265
N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156973

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 113156975) is 2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(c2c(Cl)cccc2Cl)S(C)(=O)=O)no1.
What is the InChIKey of 2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is JHUWSTUXTYXDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O4S/c1-8-6-11(17-22-8)16-12(19)7-18(23(2,20)21)13-9(14)4-3-5-10(13)15/h3-6H,7H2,1-2H3,(H,16,17,19).
What are the key properties of 2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 378.24 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 113156975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).