N-(thiophen-2-ylmethyl)butanamide

C9H13NOS — CID 4117885

IUPACN-(thiophen-2-ylmethyl)butanamide
SMILESCCCC(=O)NCc1cccs1
InChIInChI=1S/C9H13NOS/c1-2-4-9(11)10-7-8-5-3-6-12-8/h3,5-6H,2,4,7H2,1H3,(H,10,11)
InChIKeyGQINGVFITOTQOL-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.16
Rot. Bonds4

About N-(thiophen-2-ylmethyl)butanamide

N-(thiophen-2-ylmethyl)butanamide (PubChem CID 4117885) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)butanamide
PubChem CID4117885
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC NameN-(thiophen-2-ylmethyl)butanamide
SMILESCCCC(=O)NCc1cccs1
InChIInChI=1S/C9H13NOS/c1-2-4-9(11)10-7-8-5-3-6-12-8/h3,5-6H,2,4,7H2,1H3,(H,10,11)
InChIKeyGQINGVFITOTQOL-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of N-(thiophen-2-ylmethyl)butanamide (CID 4117885) is N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)butanamide is CCCC(=O)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is GQINGVFITOTQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-2-4-9(11)10-7-8-5-3-6-12-8/h3,5-6H,2,4,7H2,1H3,(H,10,11).
What are the key properties of N-(thiophen-2-ylmethyl)butanamide?
N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 183.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 4117885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).