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

C13H13Cl2N3O4S — CID 113157887

IUPACN-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
SMILESCc1cc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)no1
InChIInChI=1S/C13H13Cl2N3O4S/c1-8-3-12(17-22-8)18(23(2,20)21)7-13(19)16-11-5-9(14)4-10(15)6-11/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyIAVYZJDVCZTSBL-UHFFFAOYSA-N
MW378.24 g/mol
LogP2.69
Rot. Bonds5

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

N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide (PubChem CID 113157887) has the molecular formula C13H13Cl2N3O4S and a molecular weight of 378.24 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
PubChem CID113157887
Molecular FormulaC13H13Cl2N3O4S
Molecular Weight378.24 g/mol
Exact Mass377.00
IUPAC NameN-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
SMILESCc1cc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)no1
InChIInChI=1S/C13H13Cl2N3O4S/c1-8-3-12(17-22-8)18(23(2,20)21)7-13(19)16-11-5-9(14)4-10(15)6-11/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyIAVYZJDVCZTSBL-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

N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157845
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113156926
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157819
N-(5-chloro-2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157844
2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113157726
N-(3,5-dichlorophenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30261658
N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157855
N-(3,5-dichlorophenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464486
N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157744
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113156975
2-(2-chloro-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 51343181

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide (CID 113157887) is N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide is Cc1cc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)no1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
The InChIKey is IAVYZJDVCZTSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O4S/c1-8-3-12(17-22-8)18(23(2,20)21)7-13(19)16-11-5-9(14)4-10(15)6-11/h3-6H,7H2,1-2H3,(H,16,19).
What are the key properties of N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide?
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]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 N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide is sourced from PubChem (CID 113157887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).