2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide

C18H15ClN2OS — CID 121165718

IUPAC2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C18H15ClN2OS/c19-16-3-1-13(2-4-16)10-18(22)21-11-14-5-7-20-17(9-14)15-6-8-23-12-15/h1-9,12H,10-11H2,(H,21,22)
InChIKeyOFEOJQRREDNGSZ-UHFFFAOYSA-N
MW342.85 g/mol
LogP4.32
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide

2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide (PubChem CID 121165718) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
PubChem CID121165718
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C18H15ClN2OS/c19-16-3-1-13(2-4-16)10-18(22)21-11-14-5-7-20-17(9-14)15-6-8-23-12-15/h1-9,12H,10-11H2,(H,21,22)
InChIKeyOFEOJQRREDNGSZ-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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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625659
1-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 121165751
5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 91625615
3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
CID 121165797
3,5-ditert-butyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 121165766
2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625620
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 91625618
2-(4-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596848
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165926
2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 91625621
2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625669
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide (CID 121165718) is 2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCc1ccnc(-c2ccsc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is OFEOJQRREDNGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c19-16-3-1-13(2-4-16)10-18(22)21-11-14-5-7-20-17(9-14)15-6-8-23-12-15/h1-9,12H,10-11H2,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
2-(4-chlorophenyl)-N-[(2-thiophen-3-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-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 121165718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).