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

C10H12ClNO3S — CID 79675672

IUPAC(E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide
SMILESCOCCONC(=O)/C=C/c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO3S/c1-14-6-7-15-12-10(13)5-3-8-2-4-9(11)16-8/h2-5H,6-7H2,1H3,(H,12,13)/b5-3+
InChIKeyFKWOYHAUZJCYPG-HWKANZROSA-N
MW261.73 g/mol
LogP2.11
Rot. Bonds6

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

(E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide (PubChem CID 79675672) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is (E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide
PubChem CID79675672
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name(E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide
SMILESCOCCONC(=O)/C=C/c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO3S/c1-14-6-7-15-12-10(13)5-3-8-2-4-9(11)16-8/h2-5H,6-7H2,1H3,(H,12,13)/b5-3+
InChIKeyFKWOYHAUZJCYPG-HWKANZROSA-N
XLogP2.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide?
The IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide (CID 79675672) is (E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide?
The canonical SMILES for (E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide is COCCONC(=O)/C=C/c1ccc(Cl)s1.
What is the InChIKey of (E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide?
The InChIKey is FKWOYHAUZJCYPG-HWKANZROSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-14-6-7-15-12-10(13)5-3-8-2-4-9(11)16-8/h2-5H,6-7H2,1H3,(H,12,13)/b5-3+.
What are the key properties of (E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide?
(E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide has a molecular weight of 261.73 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide is sourced from PubChem (CID 79675672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).