N-(1-thiophen-3-ylpropan-2-yl)butanamide

C11H17NOS — CID 61150799

IUPACN-(1-thiophen-3-ylpropan-2-yl)butanamide
SMILESCCCC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C11H17NOS/c1-3-4-11(13)12-9(2)7-10-5-6-14-8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyNGYNWXZRCHXVAC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.60
Rot. Bonds5

About N-(1-thiophen-3-ylpropan-2-yl)butanamide

N-(1-thiophen-3-ylpropan-2-yl)butanamide (PubChem CID 61150799) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-(1-thiophen-3-ylpropan-2-yl)butanamide.

Molecular Properties

Compound NameN-(1-thiophen-3-ylpropan-2-yl)butanamide
PubChem CID61150799
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-(1-thiophen-3-ylpropan-2-yl)butanamide
SMILESCCCC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C11H17NOS/c1-3-4-11(13)12-9(2)7-10-5-6-14-8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyNGYNWXZRCHXVAC-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)butanamide?
The IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)butanamide (CID 61150799) is N-(1-thiophen-3-ylpropan-2-yl)butanamide.
What is the SMILES notation for N-(1-thiophen-3-ylpropan-2-yl)butanamide?
The canonical SMILES for N-(1-thiophen-3-ylpropan-2-yl)butanamide is CCCC(=O)NC(C)Cc1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylpropan-2-yl)butanamide?
The InChIKey is NGYNWXZRCHXVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-4-11(13)12-9(2)7-10-5-6-14-8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,12,13).
What are the key properties of N-(1-thiophen-3-ylpropan-2-yl)butanamide?
N-(1-thiophen-3-ylpropan-2-yl)butanamide has a molecular weight of 211.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylpropan-2-yl)butanamide is sourced from PubChem (CID 61150799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).