(E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide

C13H17NO3S — CID 97414557

IUPAC(E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide
SMILESCO[C@]1(CNC(=O)/C=C/c2ccco2)CCSC1
InChIInChI=1S/C13H17NO3S/c1-16-13(6-8-18-10-13)9-14-12(15)5-4-11-3-2-7-17-11/h2-5,7H,6,8-10H2,1H3,(H,14,15)/b5-4+/t13-/m0/s1
InChIKeyQBRSKCFVFQZZJW-IHVVCDCBSA-N
MW267.35 g/mol
LogP1.93
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide (PubChem CID 97414557) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide
PubChem CID97414557
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide
SMILESCO[C@]1(CNC(=O)/C=C/c2ccco2)CCSC1
InChIInChI=1S/C13H17NO3S/c1-16-13(6-8-18-10-13)9-14-12(15)5-4-11-3-2-7-17-11/h2-5,7H,6,8-10H2,1H3,(H,14,15)/b5-4+/t13-/m0/s1
InChIKeyQBRSKCFVFQZZJW-IHVVCDCBSA-N
XLogP1.93
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide 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

(E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide
CID 131702304
3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide
CID 72692640
2-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]thietan-3-yl]acetic acid
CID 166317743
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 62517867
3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 76945736
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90584326
N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide
CID 97414613
3-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 607372
(E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide
CID 139028127
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide (CID 97414557) is (E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide is CO[C@]1(CNC(=O)/C=C/c2ccco2)CCSC1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide?
The InChIKey is QBRSKCFVFQZZJW-IHVVCDCBSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-16-13(6-8-18-10-13)9-14-12(15)5-4-11-3-2-7-17-11/h2-5,7H,6,8-10H2,1H3,(H,14,15)/b5-4+/t13-/m0/s1.
What are the key properties of (E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide has a molecular weight of 267.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide is sourced from PubChem (CID 97414557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).