2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C17H24ClNO4S — CID 51146147

IUPAC2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCc1cc(OCC(=O)NC2(C)CCS(=O)(=O)C2)c(C(C)C)cc1Cl
InChIInChI=1S/C17H24ClNO4S/c1-11(2)13-8-14(18)12(3)7-15(13)23-9-16(20)19-17(4)5-6-24(21,22)10-17/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,20)
InChIKeySTGUZERZNAYUAR-UHFFFAOYSA-N
MW373.90 g/mol
LogP2.84
Rot. Bonds5

About 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 51146147) has the molecular formula C17H24ClNO4S and a molecular weight of 373.90 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID51146147
Molecular FormulaC17H24ClNO4S
Molecular Weight373.90 g/mol
Exact Mass373.11
IUPAC Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCc1cc(OCC(=O)NC2(C)CCS(=O)(=O)C2)c(C(C)C)cc1Cl
InChIInChI=1S/C17H24ClNO4S/c1-11(2)13-8-14(18)12(3)7-15(13)23-9-16(20)19-17(4)5-6-24(21,22)10-17/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,20)
InChIKeySTGUZERZNAYUAR-UHFFFAOYSA-N
XLogP2.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.90
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 18157918
2-(3,5-dichlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7848446
N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7945278
2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7818825
4-methyl-2-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzamide
CID 31522879
2-(2-acetamidophenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7867185
[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704746
2-(4-bromo-2-formylphenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7819853
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 4842618
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 8708036
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 31880581
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 75403613

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 51146147) is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is Cc1cc(OCC(=O)NC2(C)CCS(=O)(=O)C2)c(C(C)C)cc1Cl.
What is the InChIKey of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is STGUZERZNAYUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO4S/c1-11(2)13-8-14(18)12(3)7-15(13)23-9-16(20)19-17(4)5-6-24(21,22)10-17/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,20).
What are the key properties of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 373.90 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 51146147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).