2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide

C19H18ClN3O2S — CID 100625400

IUPAC2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CNc1ccc(Oc2ccc(Cl)cn2)cc1)NCCc1cccs1
InChIInChI=1S/C19H18ClN3O2S/c20-14-3-8-19(23-12-14)25-16-6-4-15(5-7-16)22-13-18(24)21-10-9-17-2-1-11-26-17/h1-8,11-12,22H,9-10,13H2,(H,21,24)
InChIKeyNGOUNRNQLABLMO-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.36
Rot. Bonds8

About 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide

2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 100625400) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID100625400
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CNc1ccc(Oc2ccc(Cl)cn2)cc1)NCCc1cccs1
InChIInChI=1S/C19H18ClN3O2S/c20-14-3-8-19(23-12-14)25-16-6-4-15(5-7-16)22-13-18(24)21-10-9-17-2-1-11-26-17/h1-8,11-12,22H,9-10,13H2,(H,21,24)
InChIKeyNGOUNRNQLABLMO-UHFFFAOYSA-N
XLogP4.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 55626387
2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 7604220
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 78807187
6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 46487926
2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666457
3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55743890
4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770384
2-(3-pyridin-2-yloxyanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 71995335
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide
CID 71994232
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea
CID 60610907

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide (CID 100625400) is 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide is O=C(CNc1ccc(Oc2ccc(Cl)cn2)cc1)NCCc1cccs1.
What is the InChIKey of 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is NGOUNRNQLABLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c20-14-3-8-19(23-12-14)25-16-6-4-15(5-7-16)22-13-18(24)21-10-9-17-2-1-11-26-17/h1-8,11-12,22H,9-10,13H2,(H,21,24).
What are the key properties of 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide?
2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 387.89 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 100625400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).