N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide

C13H20N2O3S — CID 3237893

IUPACN-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide
SMILESCC(C)OCCCNC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-10(2)18-7-4-6-14-12(16)9-15-13(17)11-5-3-8-19-11/h3,5,8,10H,4,6-7,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHMPVLICMHNJXJZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.41
Rot. Bonds8

About N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide

N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide (PubChem CID 3237893) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide
PubChem CID3237893
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide
SMILESCC(C)OCCCNC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-10(2)18-7-4-6-14-12(16)9-15-13(17)11-5-3-8-19-11/h3,5,8,10H,4,6-7,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHMPVLICMHNJXJZ-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide (CID 3237893) is N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide is CC(C)OCCCNC(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is HMPVLICMHNJXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)18-7-4-6-14-12(16)9-15-13(17)11-5-3-8-19-11/h3,5,8,10H,4,6-7,9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3237893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).