(E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide

C15H14ClNO2S — CID 78847155

IUPAC(E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(Cl)cc2)s1)NCCO
InChIInChI=1S/C15H14ClNO2S/c16-12-3-1-11(2-4-12)14-7-5-13(20-14)6-8-15(19)17-9-10-18/h1-8,18H,9-10H2,(H,17,19)/b8-6+
InChIKeyHPOVPTVTHDMGEC-SOFGYWHQSA-N
MW307.80 g/mol
LogP3.19
Rot. Bonds5

About (E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide

(E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 78847155) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is (E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID78847155
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name(E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(Cl)cc2)s1)NCCO
InChIInChI=1S/C15H14ClNO2S/c16-12-3-1-11(2-4-12)14-7-5-13(20-14)6-8-15(19)17-9-10-18/h1-8,18H,9-10H2,(H,17,19)/b8-6+
InChIKeyHPOVPTVTHDMGEC-SOFGYWHQSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.19
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-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43394522
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(4-chlorophenyl)thiophen-2-yl]prop-2-enamide
CID 36804855
(E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 43389925
(E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 42945686
(E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 24672676
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43388952
3-[5-(4-chlorophenyl)thiophen-2-yl]prop-2-en-1-amine
CID 76996796
1,5-bis[5-(4-methylphenyl)thiophen-2-yl]penta-1,4-dien-3-one
CID 71398985
(E)-3-[5-(4-bromophenyl)thiophen-2-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 99804528
3-[5-(3-chlorophenyl)thiophen-2-yl]prop-2-enoic acid
CID 53412007
2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol
CID 110879164
3-[5-(2-chlorophenyl)thiophen-2-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]prop-2-enamide
CID 55933444

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide (CID 78847155) is (E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide is O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)s1)NCCO.
What is the InChIKey of (E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is HPOVPTVTHDMGEC-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-12-3-1-11(2-4-12)14-7-5-13(20-14)6-8-15(19)17-9-10-18/h1-8,18H,9-10H2,(H,17,19)/b8-6+.
What are the key properties of (E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide?
(E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 307.80 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 78847155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).