N-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide

C13H21NOS — CID 71876027

IUPACN-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide
SMILESCCC(C)(C)N(C)C(=O)CCc1cccs1
InChIInChI=1S/C13H21NOS/c1-5-13(2,3)14(4)12(15)9-8-11-7-6-10-16-11/h6-7,10H,5,8-9H2,1-4H3
InChIKeyPVWJMOMKWJZZDC-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.33
Rot. Bonds5

About N-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide

N-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide (PubChem CID 71876027) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide
PubChem CID71876027
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide
SMILESCCC(C)(C)N(C)C(=O)CCc1cccs1
InChIInChI=1S/C13H21NOS/c1-5-13(2,3)14(4)12(15)9-8-11-7-6-10-16-11/h6-7,10H,5,8-9H2,1-4H3
InChIKeyPVWJMOMKWJZZDC-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide (CID 71876027) is N-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide is CCC(C)(C)N(C)C(=O)CCc1cccs1.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is PVWJMOMKWJZZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-5-13(2,3)14(4)12(15)9-8-11-7-6-10-16-11/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide?
N-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 239.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 71876027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).