2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide

C14H23NOS — CID 2963269

IUPAC2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)Cc1cccs1
InChIInChI=1S/C14H23NOS/c1-13(2,3)10-14(4,5)15-12(16)9-11-7-6-8-17-11/h6-8H,9-10H2,1-5H3,(H,15,16)
InChIKeyOPOVZFQVYQXPCV-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.62
Rot. Bonds4

About 2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide

2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 2963269) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID2963269
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)Cc1cccs1
InChIInChI=1S/C14H23NOS/c1-13(2,3)10-14(4,5)15-12(16)9-11-7-6-8-17-11/h6-8H,9-10H2,1-5H3,(H,15,16)
InChIKeyOPOVZFQVYQXPCV-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of 2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 2963269) is 2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide is CC(C)(C)CC(C)(C)NC(=O)Cc1cccs1.
What is the InChIKey of 2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is OPOVZFQVYQXPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-13(2,3)10-14(4,5)15-12(16)9-11-7-6-8-17-11/h6-8H,9-10H2,1-5H3,(H,15,16).
What are the key properties of 2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 253.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 2963269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).