2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide

C16H17NOS — CID 110711273

IUPAC2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
SMILESCc1ccc(CC(=O)NC2CC2c2cccs2)cc1
InChIInChI=1S/C16H17NOS/c1-11-4-6-12(7-5-11)9-16(18)17-14-10-13(14)15-3-2-8-19-15/h2-8,13-14H,9-10H2,1H3,(H,17,18)
InChIKeyVFKWLRZLBTYENY-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.27
Rot. Bonds4

About 2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide

2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide (PubChem CID 110711273) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
PubChem CID110711273
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
SMILESCc1ccc(CC(=O)NC2CC2c2cccs2)cc1
InChIInChI=1S/C16H17NOS/c1-11-4-6-12(7-5-11)9-16(18)17-14-10-13(14)15-3-2-8-19-15/h2-8,13-14H,9-10H2,1H3,(H,17,18)
InChIKeyVFKWLRZLBTYENY-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide (CID 110711273) is 2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide is Cc1ccc(CC(=O)NC2CC2c2cccs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide?
The InChIKey is VFKWLRZLBTYENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-11-4-6-12(7-5-11)9-16(18)17-14-10-13(14)15-3-2-8-19-15/h2-8,13-14H,9-10H2,1H3,(H,17,18).
What are the key properties of 2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide?
2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide has a molecular weight of 271.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide is sourced from PubChem (CID 110711273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).