(E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide

C9H10ClNO2S — CID 165133488

IUPAC(E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide
SMILESCON(C)C(=O)/C=C/c1cc(Cl)cs1
InChIInChI=1S/C9H10ClNO2S/c1-11(13-2)9(12)4-3-8-5-7(10)6-14-8/h3-6H,1-2H3/b4-3+
InChIKeyQOCBQDGWIFZHEQ-ONEGZZNKSA-N
MW231.70 g/mol
LogP2.43
Rot. Bonds3

About (E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide

(E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide (PubChem CID 165133488) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is (E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide
PubChem CID165133488
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Name(E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide
SMILESCON(C)C(=O)/C=C/c1cc(Cl)cs1
InChIInChI=1S/C9H10ClNO2S/c1-11(13-2)9(12)4-3-8-5-7(10)6-14-8/h3-6H,1-2H3/b4-3+
InChIKeyQOCBQDGWIFZHEQ-ONEGZZNKSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide (CID 165133488) is (E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide is CON(C)C(=O)/C=C/c1cc(Cl)cs1.
What is the InChIKey of (E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide?
The InChIKey is QOCBQDGWIFZHEQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c1-11(13-2)9(12)4-3-8-5-7(10)6-14-8/h3-6H,1-2H3/b4-3+.
What are the key properties of (E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide?
(E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide has a molecular weight of 231.70 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorothiophen-2-yl)-N-methoxy-N-methylprop-2-enamide is sourced from PubChem (CID 165133488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).