2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide

C17H24ClNO5S — CID 71942674

IUPAC2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCN(C(=O)C(C)Oc1ccccc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H24ClNO5S/c1-13(24-16-7-4-3-6-15(16)18)17(20)19(9-5-10-23-2)14-8-11-25(21,22)12-14/h3-4,6-7,13-14H,5,8-12H2,1-2H3
InChIKeyUAEJXGUGJWSIJJ-UHFFFAOYSA-N
MW389.90 g/mol
LogP2.16
Rot. Bonds8

About 2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide

2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide (PubChem CID 71942674) has the molecular formula C17H24ClNO5S and a molecular weight of 389.90 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide
PubChem CID71942674
Molecular FormulaC17H24ClNO5S
Molecular Weight389.90 g/mol
Exact Mass389.11
IUPAC Name2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCN(C(=O)C(C)Oc1ccccc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H24ClNO5S/c1-13(24-16-7-4-3-6-15(16)18)17(20)19(9-5-10-23-2)14-8-11-25(21,22)12-14/h3-4,6-7,13-14H,5,8-12H2,1-2H3
InChIKeyUAEJXGUGJWSIJJ-UHFFFAOYSA-N
XLogP2.16
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 3813701
2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
CID 102866620
(2S)-N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 41065086
2-(2-chlorophenoxy)-N-[[4-(2,4-dichlorophenyl)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 18818114
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 3344644
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(2-nitrophenoxy)propanamide
CID 26007694
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(2-nitrophenoxy)propanamide
CID 26007696
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 35526603
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 55523937
2-(2,4-dichlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 4220003
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 41188037
2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 46581771

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide (CID 71942674) is 2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide is COCCCN(C(=O)C(C)Oc1ccccc1Cl)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide?
The InChIKey is UAEJXGUGJWSIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO5S/c1-13(24-16-7-4-3-6-15(16)18)17(20)19(9-5-10-23-2)14-8-11-25(21,22)12-14/h3-4,6-7,13-14H,5,8-12H2,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide?
2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide has a molecular weight of 389.90 g/mol, XLogP of 2.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 71942674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).