2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide

C20H25ClN2O3S — CID 17481018

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C20H25ClN2O3S/c1-20(2,26-16-7-5-15(21)6-8-16)19(24)22-14-17(18-4-3-13-27-18)23-9-11-25-12-10-23/h3-8,13,17H,9-12,14H2,1-2H3,(H,22,24)
InChIKeyAXUSJLUVQCGZSC-UHFFFAOYSA-N
MW408.95 g/mol
LogP3.75
Rot. Bonds7

About 2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide (PubChem CID 17481018) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
PubChem CID17481018
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C20H25ClN2O3S/c1-20(2,26-16-7-5-15(21)6-8-16)19(24)22-14-17(18-4-3-13-27-18)23-9-11-25-12-10-23/h3-8,13,17H,9-12,14H2,1-2H3,(H,22,24)
InChIKeyAXUSJLUVQCGZSC-UHFFFAOYSA-N
XLogP3.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(4-Chlorophenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 78788985
2-(2-chloro-5-methylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 18150783
2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014389
2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide
CID 3440250
4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(thiophen-2-ylmethyl)butanamide
CID 24818374
Acetic acid, (4-chlorophenoxy)-, 2-(3-oxo-2-(2-thienyl)-1-piperazinyl)ethyl ester
CID 3070022
2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 3737085
2-(2-chlorophenoxy)-N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]acetamide
CID 17011586
2-(3-methylphenoxy)-N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]acetamide
CID 17014737
2-(4-methoxyphenoxy)-N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]acetamide
CID 17014749
1-[(4-Chlorophenoxy)acetyl]-4-(2-thienylcarbonyl)piperazine
CID 1148052
2-(4-chlorophenoxy)-N-(1-thiophen-2-ylethyl)propanamide
CID 17523889

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide (CID 17481018) is 2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The InChIKey is AXUSJLUVQCGZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-20(2,26-16-7-5-15(21)6-8-16)19(24)22-14-17(18-4-3-13-27-18)23-9-11-25-12-10-23/h3-8,13,17H,9-12,14H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide has a molecular weight of 408.95 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 17481018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).