N-(3-methyl-1-thiophen-2-ylbutyl)propanamide

C12H19NOS — CID 51089364

IUPACN-(3-methyl-1-thiophen-2-ylbutyl)propanamide
SMILESCCC(=O)NC(CC(C)C)c1cccs1
InChIInChI=1S/C12H19NOS/c1-4-12(14)13-10(8-9(2)3)11-6-5-7-15-11/h5-7,9-10H,4,8H2,1-3H3,(H,13,14)
InChIKeyMIXXOUSAJNPDLS-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.36
Rot. Bonds5

About N-(3-methyl-1-thiophen-2-ylbutyl)propanamide

N-(3-methyl-1-thiophen-2-ylbutyl)propanamide (PubChem CID 51089364) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(3-methyl-1-thiophen-2-ylbutyl)propanamide.

Molecular Properties

Compound NameN-(3-methyl-1-thiophen-2-ylbutyl)propanamide
PubChem CID51089364
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-(3-methyl-1-thiophen-2-ylbutyl)propanamide
SMILESCCC(=O)NC(CC(C)C)c1cccs1
InChIInChI=1S/C12H19NOS/c1-4-12(14)13-10(8-9(2)3)11-6-5-7-15-11/h5-7,9-10H,4,8H2,1-3H3,(H,13,14)
InChIKeyMIXXOUSAJNPDLS-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-thiophen-2-ylbutyl)propanamide?
The IUPAC name of N-(3-methyl-1-thiophen-2-ylbutyl)propanamide (CID 51089364) is N-(3-methyl-1-thiophen-2-ylbutyl)propanamide.
What is the SMILES notation for N-(3-methyl-1-thiophen-2-ylbutyl)propanamide?
The canonical SMILES for N-(3-methyl-1-thiophen-2-ylbutyl)propanamide is CCC(=O)NC(CC(C)C)c1cccs1.
What is the InChIKey of N-(3-methyl-1-thiophen-2-ylbutyl)propanamide?
The InChIKey is MIXXOUSAJNPDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-12(14)13-10(8-9(2)3)11-6-5-7-15-11/h5-7,9-10H,4,8H2,1-3H3,(H,13,14).
What are the key properties of N-(3-methyl-1-thiophen-2-ylbutyl)propanamide?
N-(3-methyl-1-thiophen-2-ylbutyl)propanamide has a molecular weight of 225.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-thiophen-2-ylbutyl)propanamide is sourced from PubChem (CID 51089364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).