N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide

C13H15NO4S — CID 47468524

IUPACN-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide
SMILESC#CCN(Cc1ccco1)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H15NO4S/c1-2-6-14(9-12-4-3-7-18-12)13(15)11-5-8-19(16,17)10-11/h1,3-4,7,11H,5-6,8-10H2
InChIKeyQEPRMJZVDUFNLE-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.68
Rot. Bonds4

About N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide

N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide (PubChem CID 47468524) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide
PubChem CID47468524
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC NameN-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide
SMILESC#CCN(Cc1ccco1)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H15NO4S/c1-2-6-14(9-12-4-3-7-18-12)13(15)11-5-8-19(16,17)10-11/h1,3-4,7,11H,5-6,8-10H2
InChIKeyQEPRMJZVDUFNLE-UHFFFAOYSA-N
XLogP0.68
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 102565822
(3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide
CID 26320461
tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate
CID 10966474
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide
CID 99976891
(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 33094541
3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82323935
3-[acetyl(furan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113118032
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 8019928
N-[3-(furan-2-ylmethylsulfanyl)propyl]-1,1-dioxothiolane-3-carboxamide
CID 74238584
1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea
CID 51084236

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide (CID 47468524) is N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide is C#CCN(Cc1ccco1)C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide?
The InChIKey is QEPRMJZVDUFNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-2-6-14(9-12-4-3-7-18-12)13(15)11-5-8-19(16,17)10-11/h1,3-4,7,11H,5-6,8-10H2.
What are the key properties of N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide?
N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,1-dioxo-N-prop-2-ynylthiolane-3-carboxamide is sourced from PubChem (CID 47468524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).