(E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide

C9H10ClNO2S — CID 43394522

IUPAC(E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)s1)NCCO
InChIInChI=1S/C9H10ClNO2S/c10-8-3-1-7(14-8)2-4-9(13)11-5-6-12/h1-4,12H,5-6H2,(H,11,13)/b4-2+
InChIKeyYOEZESHBVPNMSI-DUXPYHPUSA-N
MW231.70 g/mol
LogP1.52
Rot. Bonds4

About (E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide

(E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 43394522) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is (E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID43394522
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Name(E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)s1)NCCO
InChIInChI=1S/C9H10ClNO2S/c10-8-3-1-7(14-8)2-4-9(13)11-5-6-12/h1-4,12H,5-6H2,(H,11,13)/b4-2+
InChIKeyYOEZESHBVPNMSI-DUXPYHPUSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.52
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)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 43389925
(E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide
CID 78847155
(E)-N-(2-bromoprop-2-enyl)-3-(5-chlorothiophen-2-yl)prop-2-enamide
CID 115594447
(E)-3-(5-chlorothiophen-2-yl)-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 18206351
methyl 3-[[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]amino]-2-hydroxypropanoate
CID 113358679
(E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 24608482
3-(5-chlorothiophen-2-yl)-N-cyanoprop-2-enamide
CID 79194152
4-[[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]amino]-3-methoxybutanoic acid
CID 103152383
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43388952
3-[[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]amino]butanoic acid
CID 43360973
(E)-3-(5-chlorothiophen-2-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide
CID 102673587
(Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one
CID 92532745

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide (CID 43394522) is (E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)s1)NCCO.
What is the InChIKey of (E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is YOEZESHBVPNMSI-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c10-8-3-1-7(14-8)2-4-9(13)11-5-6-12/h1-4,12H,5-6H2,(H,11,13)/b4-2+.
What are the key properties of (E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide?
(E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 231.70 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 43394522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).