2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide

C18H24ClNO4S — CID 46824899

IUPAC2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)N(C2CCCC2)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H24ClNO4S/c1-13-6-7-16(19)17(10-13)24-11-18(21)20(14-4-2-3-5-14)15-8-9-25(22,23)12-15/h6-7,10,14-15H,2-5,8-9,11-12H2,1H3
InChIKeyXHOCCXQILGLBNX-UHFFFAOYSA-N
MW385.91 g/mol
LogP2.99
Rot. Bonds5

About 2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide

2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 46824899) has the molecular formula C18H24ClNO4S and a molecular weight of 385.91 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID46824899
Molecular FormulaC18H24ClNO4S
Molecular Weight385.91 g/mol
Exact Mass385.11
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)N(C2CCCC2)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H24ClNO4S/c1-13-6-7-16(19)17(10-13)24-11-18(21)20(14-4-2-3-5-14)15-8-9-25(22,23)12-15/h6-7,10,14-15H,2-5,8-9,11-12H2,1H3
InChIKeyXHOCCXQILGLBNX-UHFFFAOYSA-N
XLogP2.99
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 26006663
N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7701312
2-(2-chloro-4-cyanophenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18203549
2-(2-chloro-4-nitrophenoxy)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2569224
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide
CID 136529605
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547223
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547224
[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 26004017
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 112978311
2-(4-acetylphenoxy)-N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30824688
2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethoxy]-4-methylbenzoic acid
CID 51515598
2-(2,4-dichlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7259860

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide (CID 46824899) is 2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide is Cc1ccc(Cl)c(OCC(=O)N(C2CCCC2)C2CCS(=O)(=O)C2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is XHOCCXQILGLBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO4S/c1-13-6-7-16(19)17(10-13)24-11-18(21)20(14-4-2-3-5-14)15-8-9-25(22,23)12-15/h6-7,10,14-15H,2-5,8-9,11-12H2,1H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 385.91 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 46824899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).