(E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide

C16H17NO3S — CID 95619789

IUPAC(E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC[S@@](=O)Cc1ccccc1
InChIInChI=1S/C16H17NO3S/c18-16(9-8-15-7-4-11-20-15)17-10-12-21(19)13-14-5-2-1-3-6-14/h1-9,11H,10,12-13H2,(H,17,18)/b9-8+/t21-/m1/s1
InChIKeyOUTZTXVHRQPYHN-MHNQQFQPSA-N
MW303.38 g/mol
LogP2.36
Rot. Bonds7

About (E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 95619789) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is (E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID95619789
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name(E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC[S@@](=O)Cc1ccccc1
InChIInChI=1S/C16H17NO3S/c18-16(9-8-15-7-4-11-20-15)17-10-12-21(19)13-14-5-2-1-3-6-14/h1-9,11H,10,12-13H2,(H,17,18)/b9-8+/t21-/m1/s1
InChIKeyOUTZTXVHRQPYHN-MHNQQFQPSA-N
XLogP2.36
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
3-(furan-2-yl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide
CID 5209518
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide
CID 60619034
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 779270
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
(E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
CID 121112127
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide (CID 95619789) is (E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)NCC[S@@](=O)Cc1ccccc1.
What is the InChIKey of (E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is OUTZTXVHRQPYHN-MHNQQFQPSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-16(9-8-15-7-4-11-20-15)17-10-12-21(19)13-14-5-2-1-3-6-14/h1-9,11H,10,12-13H2,(H,17,18)/b9-8+/t21-/m1/s1.
What are the key properties of (E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 303.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[(S)-benzylsulfinyl]ethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 95619789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).