N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide

C18H27NO3S — CID 110417136

IUPACN-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)NCCCC1CCS(=O)(=O)C1
InChIInChI=1S/C18H27NO3S/c20-18(11-5-4-9-16-7-2-1-3-8-16)19-13-6-10-17-12-14-23(21,22)15-17/h1-3,7-8,17H,4-6,9-15H2,(H,19,20)
InChIKeyLNFYRXKUVIRRQB-UHFFFAOYSA-N
MW337.48 g/mol
LogP2.73
Rot. Bonds9

About N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide

N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide (PubChem CID 110417136) has the molecular formula C18H27NO3S and a molecular weight of 337.48 g/mol. Its IUPAC name is N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide
PubChem CID110417136
Molecular FormulaC18H27NO3S
Molecular Weight337.48 g/mol
Exact Mass337.17
IUPAC NameN-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)NCCCC1CCS(=O)(=O)C1
InChIInChI=1S/C18H27NO3S/c20-18(11-5-4-9-16-7-2-1-3-8-16)19-13-6-10-17-12-14-23(21,22)15-17/h1-3,7-8,17H,4-6,9-15H2,(H,19,20)
InChIKeyLNFYRXKUVIRRQB-UHFFFAOYSA-N
XLogP2.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide
CID 110417130
N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-thiophen-2-ylpentanamide
CID 110417133
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-phenoxyacetamide
CID 110418906
3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide
CID 110617365
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(3-fluorophenyl)acetamide
CID 110664939
(E)-N-[3-(1,1-dioxothiolan-3-yl)propyl]-3-phenylbut-2-enamide
CID 110417118
N-[3-(1,1-dioxothiolan-3-yl)propyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110617358
2-chloro-N-[3-(1,1-dioxothiolan-3-yl)propyl]benzamide
CID 110418920
1-(1,1-dioxothiolan-3-yl)-4-phenylbutan-2-one
CID 105080030
(E)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-methyl-5-phenylpent-2-enamide
CID 95287712
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-phenylpropyl)acetamide
CID 113165013

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide?
The IUPAC name of N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide (CID 110417136) is N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide.
What is the SMILES notation for N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide?
The canonical SMILES for N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide is O=C(CCCCc1ccccc1)NCCCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide?
The InChIKey is LNFYRXKUVIRRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3S/c20-18(11-5-4-9-16-7-2-1-3-8-16)19-13-6-10-17-12-14-23(21,22)15-17/h1-3,7-8,17H,4-6,9-15H2,(H,19,20).
What are the key properties of N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide?
N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide has a molecular weight of 337.48 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide is sourced from PubChem (CID 110417136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).