(Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide

C12H15NO2S — CID 141167180

IUPAC(Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
SMILESCSc1ccc(/C=C\C(=O)NCCO)cc1
InChIInChI=1S/C12H15NO2S/c1-16-11-5-2-10(3-6-11)4-7-12(15)13-8-9-14/h2-7,14H,8-9H2,1H3,(H,13,15)/b7-4-
InChIKeyBWEYWAYBKLGIFM-DAXSKMNVSA-N
MW237.32 g/mol
LogP1.53
Rot. Bonds5

About (Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide

(Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide (PubChem CID 141167180) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is (Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
PubChem CID141167180
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name(Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
SMILESCSc1ccc(/C=C\C(=O)NCCO)cc1
InChIInChI=1S/C12H15NO2S/c1-16-11-5-2-10(3-6-11)4-7-12(15)13-8-9-14/h2-7,14H,8-9H2,1H3,(H,13,15)/b7-4-
InChIKeyBWEYWAYBKLGIFM-DAXSKMNVSA-N
XLogP1.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
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-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 13364699
(E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497154
(E)-3-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 2675110
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
(E)-N-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 99997643
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 71807011
4-(4-methylsulfanylphenyl)but-3-en-2-one
CID 54442603
3-(4-methylsulfanylphenyl)-N-phenylprop-2-enamide
CID 4879248
methyl 3-(4-methylsulfanylphenyl)prop-2-enoate
CID 6624383
(E)-1,3-bis(4-methylsulfanylphenyl)prop-2-en-1-one
CID 5378556
(E)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 99709526
3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide (CID 141167180) is (Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide is CSc1ccc(/C=C\C(=O)NCCO)cc1.
What is the InChIKey of (Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide?
The InChIKey is BWEYWAYBKLGIFM-DAXSKMNVSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-16-11-5-2-10(3-6-11)4-7-12(15)13-8-9-14/h2-7,14H,8-9H2,1H3,(H,13,15)/b7-4-.
What are the key properties of (Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide?
(Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide has a molecular weight of 237.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide is sourced from PubChem (CID 141167180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).