N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide

C18H15ClN2O2S — CID 24830568

IUPACN-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cc(-c3ccnc(Cl)c3)cs2)c1
InChIInChI=1S/C18H15ClN2O2S/c1-23-15-4-2-3-12(7-15)8-17(22)21-18-10-14(11-24-18)13-5-6-20-16(19)9-13/h2-7,9-11H,8H2,1H3,(H,21,22)
InChIKeyIEYJDPAUIUNGSF-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.65
Rot. Bonds5

About N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide

N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 24830568) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID24830568
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC NameN-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cc(-c3ccnc(Cl)c3)cs2)c1
InChIInChI=1S/C18H15ClN2O2S/c1-23-15-4-2-3-12(7-15)8-17(22)21-18-10-14(11-24-18)13-5-6-20-16(19)9-13/h2-7,9-11H,8H2,1H3,(H,21,22)
InChIKeyIEYJDPAUIUNGSF-UHFFFAOYSA-N
XLogP4.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide (CID 24830568) is N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2cc(-c3ccnc(Cl)c3)cs2)c1.
What is the InChIKey of N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is IEYJDPAUIUNGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-23-15-4-2-3-12(7-15)8-17(22)21-18-10-14(11-24-18)13-5-6-20-16(19)9-13/h2-7,9-11H,8H2,1H3,(H,21,22).
What are the key properties of N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide?
N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 358.85 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 24830568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).