2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide

C18H22ClNO4S — CID 122162608

IUPAC2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(OCCO)c1ccsc1
InChIInChI=1S/C18H22ClNO4S/c1-18(2,24-15-5-3-14(19)4-6-15)17(22)20-11-16(23-9-8-21)13-7-10-25-12-13/h3-7,10,12,16,21H,8-9,11H2,1-2H3,(H,20,22)
InChIKeyADIBSVAHEMYNSD-UHFFFAOYSA-N
MW383.90 g/mol
LogP3.43
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide (PubChem CID 122162608) has the molecular formula C18H22ClNO4S and a molecular weight of 383.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide
PubChem CID122162608
Molecular FormulaC18H22ClNO4S
Molecular Weight383.90 g/mol
Exact Mass383.10
IUPAC Name2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(OCCO)c1ccsc1
InChIInChI=1S/C18H22ClNO4S/c1-18(2,24-15-5-3-14(19)4-6-15)17(22)20-11-16(23-9-8-21)13-7-10-25-12-13/h3-7,10,12,16,21H,8-9,11H2,1-2H3,(H,20,22)
InChIKeyADIBSVAHEMYNSD-UHFFFAOYSA-N
XLogP3.43
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide
CID 122162583
2-chloro-6-fluoro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide
CID 122162593
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-3-methylbutanoic acid
CID 81063126
2-(4-chlorophenoxy)-2-methyl-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide
CID 119104228
2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide
CID 129354820
2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methylpropanamide
CID 97416886
2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 103919455
(E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide
CID 122162578
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
methyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate
CID 122162633
1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 90584205
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414515

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide (CID 122162608) is 2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(OCCO)c1ccsc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide?
The InChIKey is ADIBSVAHEMYNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO4S/c1-18(2,24-15-5-3-14(19)4-6-15)17(22)20-11-16(23-9-8-21)13-7-10-25-12-13/h3-7,10,12,16,21H,8-9,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide has a molecular weight of 383.90 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide is sourced from PubChem (CID 122162608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).