N-butyl-2-thiophen-3-ylacetamide

C10H15NOS — CID 137320350

IUPACN-butyl-2-thiophen-3-ylacetamide
SMILESCCCCNC(=O)Cc1ccsc1
InChIInChI=1S/C10H15NOS/c1-2-3-5-11-10(12)7-9-4-6-13-8-9/h4,6,8H,2-3,5,7H2,1H3,(H,11,12)
InChIKeyRCCQHIAMKJUNAH-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.21
Rot. Bonds5

About N-butyl-2-thiophen-3-ylacetamide

N-butyl-2-thiophen-3-ylacetamide (PubChem CID 137320350) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-butyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-butyl-2-thiophen-3-ylacetamide
PubChem CID137320350
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-butyl-2-thiophen-3-ylacetamide
SMILESCCCCNC(=O)Cc1ccsc1
InChIInChI=1S/C10H15NOS/c1-2-3-5-11-10(12)7-9-4-6-13-8-9/h4,6,8H,2-3,5,7H2,1H3,(H,11,12)
InChIKeyRCCQHIAMKJUNAH-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-butyl-2-thiophen-3-ylacetamide (CID 137320350) is N-butyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-butyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-butyl-2-thiophen-3-ylacetamide is CCCCNC(=O)Cc1ccsc1.
What is the InChIKey of N-butyl-2-thiophen-3-ylacetamide?
The InChIKey is RCCQHIAMKJUNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-2-3-5-11-10(12)7-9-4-6-13-8-9/h4,6,8H,2-3,5,7H2,1H3,(H,11,12).
What are the key properties of N-butyl-2-thiophen-3-ylacetamide?
N-butyl-2-thiophen-3-ylacetamide has a molecular weight of 197.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 137320350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).