2-thiophen-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C16H23NOS — CID 78789505

IUPAC2-thiophen-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)Cc1cccs1)C2
InChIInChI=1S/C16H23NOS/c1-15(2)11-6-7-16(15,3)13(9-11)17-14(18)10-12-5-4-8-19-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyUMRHHDXCZNMNOP-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.62
Rot. Bonds3

About 2-thiophen-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

2-thiophen-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 78789505) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID78789505
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name2-thiophen-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)Cc1cccs1)C2
InChIInChI=1S/C16H23NOS/c1-15(2)11-6-7-16(15,3)13(9-11)17-14(18)10-12-5-4-8-19-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyUMRHHDXCZNMNOP-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
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-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-thiophen-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 78789505) is 2-thiophen-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-thiophen-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-thiophen-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is CC1(C)C2CCC1(C)C(NC(=O)Cc1cccs1)C2.
What is the InChIKey of 2-thiophen-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is UMRHHDXCZNMNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-15(2)11-6-7-16(15,3)13(9-11)17-14(18)10-12-5-4-8-19-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-thiophen-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2-thiophen-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 277.43 g/mol, XLogP of 3.62, 3 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-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 78789505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).