N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide

C17H20Cl3NO4S — CID 26006663

IUPACN-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H20Cl3NO4S/c18-13-7-15(20)16(8-14(13)19)25-9-17(22)21(11-3-1-2-4-11)12-5-6-26(23,24)10-12/h7-8,11-12H,1-6,9-10H2/t12-/m1/s1
InChIKeyIQMQBVZKYWWVON-GFCCVEGCSA-N
MW440.78 g/mol
LogP3.98
Rot. Bonds5

About N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide

N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 26006663) has the molecular formula C17H20Cl3NO4S and a molecular weight of 440.78 g/mol. Its IUPAC name is N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID26006663
Molecular FormulaC17H20Cl3NO4S
Molecular Weight440.78 g/mol
Exact Mass439.02
IUPAC NameN-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H20Cl3NO4S/c18-13-7-15(20)16(8-14(13)19)25-9-17(22)21(11-3-1-2-4-11)12-5-6-26(23,24)10-12/h7-8,11-12H,1-6,9-10H2/t12-/m1/s1
InChIKeyIQMQBVZKYWWVON-GFCCVEGCSA-N
XLogP3.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.78
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7701312
2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 46824899
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-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
2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide
CID 24562064
N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 43030960
2-(4-acetylphenoxy)-N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30824688
2-(4-cyanophenoxy)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2576465
2-(2,4-dichlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7259860

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide (CID 26006663) is N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is IQMQBVZKYWWVON-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20Cl3NO4S/c18-13-7-15(20)16(8-14(13)19)25-9-17(22)21(11-3-1-2-4-11)12-5-6-26(23,24)10-12/h7-8,11-12H,1-6,9-10H2/t12-/m1/s1.
What are the key properties of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 440.78 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 26006663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).