[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

C15H18ClNO6S — CID 4801836

IUPAC[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H18ClNO6S/c1-10-6-11(16)2-3-13(10)22-8-15(19)23-7-14(18)17-12-4-5-24(20,21)9-12/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyCFLIYTPBBWOSRN-UHFFFAOYSA-N
MW375.83 g/mol
LogP0.87
Rot. Bonds6

About [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 4801836) has the molecular formula C15H18ClNO6S and a molecular weight of 375.83 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID4801836
Molecular FormulaC15H18ClNO6S
Molecular Weight375.83 g/mol
Exact Mass375.05
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H18ClNO6S/c1-10-6-11(16)2-3-13(10)22-8-15(19)23-7-14(18)17-12-4-5-24(20,21)9-12/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyCFLIYTPBBWOSRN-UHFFFAOYSA-N
XLogP0.87
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate with MolForge

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Related Compounds

[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 4376724
N-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-2-p-tolyloxy-acetamide
CID 3129054
2-(2,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2941148
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 4853064
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 6213245
4-(4-chloro-2-methylphenoxy)-N-(2-oxothiolan-3-yl)butanamide
CID 3148049
[2-[(1,1-Dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 16330901
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 16330978
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 24981312
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 2435762
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 4801124
[2-(Cyclopentylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 4802033

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (CID 4801836) is [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is Cc1cc(Cl)ccc1OCC(=O)OCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is CFLIYTPBBWOSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO6S/c1-10-6-11(16)2-3-13(10)22-8-15(19)23-7-14(18)17-12-4-5-24(20,21)9-12/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,18).
What are the key properties of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 375.83 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 4801836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).