N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide

C11H16N2O2S — CID 108796400

IUPACN-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESNCCCNC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C11H16N2O2S/c12-6-2-7-13-11(15)5-4-9(14)10-3-1-8-16-10/h1,3,8H,2,4-7,12H2,(H,13,15)
InChIKeyAUUJDHMTRYJVQD-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.18
Rot. Bonds7

About N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide

N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 108796400) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID108796400
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESNCCCNC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C11H16N2O2S/c12-6-2-7-13-11(15)5-4-9(14)10-3-1-8-16-10/h1,3,8H,2,4-7,12H2,(H,13,15)
InChIKeyAUUJDHMTRYJVQD-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.18
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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Related Compounds

methyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]butanoate
CID 108807722
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
N-[3-[[2-(3,4-difluorophenyl)acetyl]amino]propyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 167750645
[2-oxo-2-[2-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]ethylamino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 16540287
N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26878730
4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 26594248
N-(2,2-dimethoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796357
4-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide
CID 108743971
N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 24655114
N-[(3-fluoro-4-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 34314674
N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9455258
2-hydroxy-3-[2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]ethyl]benzoic acid
CID 91554363

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide (CID 108796400) is N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide is NCCCNC(=O)CCC(=O)c1cccs1.
What is the InChIKey of N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is AUUJDHMTRYJVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-6-2-7-13-11(15)5-4-9(14)10-3-1-8-16-10/h1,3,8H,2,4-7,12H2,(H,13,15).
What are the key properties of N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 240.33 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 108796400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).