2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

C13H13Cl2N3O5S — CID 9186538

IUPAC2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C13H13Cl2N3O5S/c1-7(12-17-18-13(23-12)24(2,20)21)16-11(19)6-22-10-4-3-8(14)5-9(10)15/h3-5,7H,6H2,1-2H3,(H,16,19)/t7-/m0/s1
InChIKeyVQWKSPIEWYZFPN-ZETCQYMHSA-N
MW394.24 g/mol
LogP2.04
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (PubChem CID 9186538) has the molecular formula C13H13Cl2N3O5S and a molecular weight of 394.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
PubChem CID9186538
Molecular FormulaC13H13Cl2N3O5S
Molecular Weight394.24 g/mol
Exact Mass393.00
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C13H13Cl2N3O5S/c1-7(12-17-18-13(23-12)24(2,20)21)16-11(19)6-22-10-4-3-8(14)5-9(10)15/h3-5,7H,6H2,1-2H3,(H,16,19)/t7-/m0/s1
InChIKeyVQWKSPIEWYZFPN-ZETCQYMHSA-N
XLogP2.04
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 9188783
2-(2,4-dichlorophenoxy)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 60606511
3-chloro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 9186384
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94050777
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 7859030
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 9365848
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 595733
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915108

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (CID 9186538) is 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The InChIKey is VQWKSPIEWYZFPN-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H13Cl2N3O5S/c1-7(12-17-18-13(23-12)24(2,20)21)16-11(19)6-22-10-4-3-8(14)5-9(10)15/h3-5,7H,6H2,1-2H3,(H,16,19)/t7-/m0/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide has a molecular weight of 394.24 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 9186538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).