N-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide

C11H16N2O2S — CID 4651457

IUPACN-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCCCNC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C11H16N2O2S/c1-2-3-6-12-10(14)8-13-11(15)9-5-4-7-16-9/h4-5,7H,2-3,6,8H2,1H3,(H,12,14)(H,13,15)
InChIKeyGLJBDSOZQJSNEY-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.39
Rot. Bonds6

About N-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 4651457) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID4651457
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCCCNC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C11H16N2O2S/c1-2-3-6-12-10(14)8-13-11(15)9-5-4-7-16-9/h4-5,7H,2-3,6,8H2,1H3,(H,12,14)(H,13,15)
InChIKeyGLJBDSOZQJSNEY-UHFFFAOYSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide (CID 4651457) is N-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide is CCCCNC(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is GLJBDSOZQJSNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-3-6-12-10(14)8-13-11(15)9-5-4-7-16-9/h4-5,7H,2-3,6,8H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4651457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).