2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide

C15H15Cl2NO2S — CID 46593806

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C15H15Cl2NO2S/c1-9-7-11(16)3-5-13(9)20-10(2)15(19)18-8-12-4-6-14(17)21-12/h3-7,10H,8H2,1-2H3,(H,18,19)
InChIKeyWJNSVLADIOPUAP-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.45
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide

2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide (PubChem CID 46593806) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
PubChem CID46593806
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C15H15Cl2NO2S/c1-9-7-11(16)3-5-13(9)20-10(2)15(19)18-8-12-4-6-14(17)21-12/h3-7,10H,8H2,1-2H3,(H,18,19)
InChIKeyWJNSVLADIOPUAP-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 898910
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
2-(4-chloro-2-methylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide
CID 55478999
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)propanoate
CID 55448186
2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 46599023
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide
CID 46596451
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
CID 8708990
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 725864
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide (CID 46593806) is 2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)NCc1ccc(Cl)s1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide?
The InChIKey is WJNSVLADIOPUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-9-7-11(16)3-5-13(9)20-10(2)15(19)18-8-12-4-6-14(17)21-12/h3-7,10H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide has a molecular weight of 344.26 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 46593806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).