2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide

C15H20ClNO4S — CID 146122600

IUPAC2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)NC2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C15H20ClNO4S/c1-10-3-4-13(16)14(9-10)21-11(2)15(18)17-12-5-7-22(19,20)8-6-12/h3-4,9,11-12H,5-8H2,1-2H3,(H,17,18)
InChIKeyHOAQPQKOUAFOJG-UHFFFAOYSA-N
MW345.85 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide

2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide (PubChem CID 146122600) has the molecular formula C15H20ClNO4S and a molecular weight of 345.85 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide
PubChem CID146122600
Molecular FormulaC15H20ClNO4S
Molecular Weight345.85 g/mol
Exact Mass345.08
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)NC2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C15H20ClNO4S/c1-10-3-4-13(16)14(9-10)21-11(2)15(18)17-12-5-7-22(19,20)8-6-12/h3-4,9,11-12H,5-8H2,1-2H3,(H,17,18)
InChIKeyHOAQPQKOUAFOJG-UHFFFAOYSA-N
XLogP2.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832796
(2R)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832797
(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27232531
2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 46581771
N-[3,3-bis(hydroxymethyl)cyclobutyl]-2-(2-chloro-5-methylphenoxy)propanamide
CID 167827659
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941084
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650924
2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid
CID 60651700
2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111470995
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide (CID 146122600) is 2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide is Cc1ccc(Cl)c(OC(C)C(=O)NC2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide?
The InChIKey is HOAQPQKOUAFOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4S/c1-10-3-4-13(16)14(9-10)21-11(2)15(18)17-12-5-7-22(19,20)8-6-12/h3-4,9,11-12H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide?
2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide has a molecular weight of 345.85 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide is sourced from PubChem (CID 146122600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).