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

C19H18N2OS — CID 70669208

IUPAC2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide
SMILESCc1cccc(CC(=O)Nc2cc(-c3ccnc(C)c3)cs2)c1
InChIInChI=1S/C19H18N2OS/c1-13-4-3-5-15(8-13)10-18(22)21-19-11-17(12-23-19)16-6-7-20-14(2)9-16/h3-9,11-12H,10H2,1-2H3,(H,21,22)
InChIKeyXREANENGUOGQPC-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.61
Rot. Bonds4

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

2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide (PubChem CID 70669208) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide
PubChem CID70669208
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide
SMILESCc1cccc(CC(=O)Nc2cc(-c3ccnc(C)c3)cs2)c1
InChIInChI=1S/C19H18N2OS/c1-13-4-3-5-15(8-13)10-18(22)21-19-11-17(12-23-19)16-6-7-20-14(2)9-16/h3-9,11-12H,10H2,1-2H3,(H,21,22)
InChIKeyXREANENGUOGQPC-UHFFFAOYSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide (CID 70669208) is 2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide is Cc1cccc(CC(=O)Nc2cc(-c3ccnc(C)c3)cs2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide?
The InChIKey is XREANENGUOGQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-4-3-5-15(8-13)10-18(22)21-19-11-17(12-23-19)16-6-7-20-14(2)9-16/h3-9,11-12H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide?
2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide has a molecular weight of 322.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 70669208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).