2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide

C18H15ClN2O2S — CID 17012479

IUPAC2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1cccc(Cl)c1)N(Cc1cccs1)c1ccccn1
InChIInChI=1S/C18H15ClN2O2S/c19-14-5-3-6-15(11-14)23-13-18(22)21(12-16-7-4-10-24-16)17-8-1-2-9-20-17/h1-11H,12-13H2
InChIKeySYYMSZONCVEBAB-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.41
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide

2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 17012479) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID17012479
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1cccc(Cl)c1)N(Cc1cccs1)c1ccccn1
InChIInChI=1S/C18H15ClN2O2S/c19-14-5-3-6-15(11-14)23-13-18(22)21(12-16-7-4-10-24-16)17-8-1-2-9-20-17/h1-11H,12-13H2
InChIKeySYYMSZONCVEBAB-UHFFFAOYSA-N
XLogP4.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012481
2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide
CID 23613582
2-(3-methoxyphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67510974
2-(4-methylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 67510388
2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide
CID 35578649
2-(3-chlorophenoxy)-1-thiophen-2-ylethanone
CID 60625787
2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride
CID 67511124
2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 31841903
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide
CID 62229641
2-(2-chlorophenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide
CID 35577428
1-pyridin-2-yl-1-(thiophen-2-ylmethyl)hydrazine
CID 70449715

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide (CID 17012479) is 2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide is O=C(COc1cccc(Cl)c1)N(Cc1cccs1)c1ccccn1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SYYMSZONCVEBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c19-14-5-3-6-15(11-14)23-13-18(22)21(12-16-7-4-10-24-16)17-8-1-2-9-20-17/h1-11H,12-13H2.
What are the key properties of 2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 358.85 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 17012479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).