2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide

C18H21ClN2O2S — CID 26009692

IUPAC2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCCC1
InChIInChI=1S/C18H21ClN2O2S/c19-14-5-7-15(8-6-14)23-13-18(22)20-12-16(17-4-3-11-24-17)21-9-1-2-10-21/h3-8,11,16H,1-2,9-10,12-13H2,(H,20,22)/t16-/m1/s1
InChIKeySKJWULBECSSGBO-MRXNPFEDSA-N
MW364.90 g/mol
LogP3.73
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide

2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide (PubChem CID 26009692) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
PubChem CID26009692
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCCC1
InChIInChI=1S/C18H21ClN2O2S/c19-14-5-7-15(8-6-14)23-13-18(22)20-12-16(17-4-3-11-24-17)21-9-1-2-10-21/h3-8,11,16H,1-2,9-10,12-13H2,(H,20,22)/t16-/m1/s1
InChIKeySKJWULBECSSGBO-MRXNPFEDSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chlorophenoxy)acetamide
CID 35042237
2-phenoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 34949998
2-(4-chlorophenoxy)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577511
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 35345891
2-(4-chlorophenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 30717501
2-(4-nitrophenoxy)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17014093
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 35042194
2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 35043731
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 52984654
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 112503361
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34949327
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40985997

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide (CID 26009692) is 2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide is O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
The InChIKey is SKJWULBECSSGBO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c19-14-5-7-15(8-6-14)23-13-18(22)20-12-16(17-4-3-11-24-17)21-9-1-2-10-21/h3-8,11,16H,1-2,9-10,12-13H2,(H,20,22)/t16-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide has a molecular weight of 364.90 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 26009692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).