2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide

C18H15ClN2OS — CID 91630326

IUPAC2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCc1ccnc(-c2cccs2)c1
InChIInChI=1S/C18H15ClN2OS/c19-15-5-2-1-4-14(15)11-18(22)21-12-13-7-8-20-16(10-13)17-6-3-9-23-17/h1-10H,11-12H2,(H,21,22)
InChIKeyCZEOTUHSNJFMOV-UHFFFAOYSA-N
MW342.85 g/mol
LogP4.32
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide

2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide (PubChem CID 91630326) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
PubChem CID91630326
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCc1ccnc(-c2cccs2)c1
InChIInChI=1S/C18H15ClN2OS/c19-15-5-2-1-4-14(15)11-18(22)21-12-13-7-8-20-16(10-13)17-6-3-9-23-17/h1-10H,11-12H2,(H,21,22)
InChIKeyCZEOTUHSNJFMOV-UHFFFAOYSA-N
XLogP4.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide (CID 91630326) is 2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide is O=C(Cc1ccccc1Cl)NCc1ccnc(-c2cccs2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is CZEOTUHSNJFMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c19-15-5-2-1-4-14(15)11-18(22)21-12-13-7-8-20-16(10-13)17-6-3-9-23-17/h1-10H,11-12H2,(H,21,22).
What are the key properties of 2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 342.85 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91630326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).