(E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

C17H15ClN2O2S — CID 24610850

IUPAC(E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)s1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H15ClN2O2S/c18-15-9-7-14(23-15)8-10-16(21)19-12-3-5-13(6-4-12)20-11-1-2-17(20)22/h3-10H,1-2,11H2,(H,19,21)/b10-8+
InChIKeyYQYBILMVIHCUAR-CSKARUKUSA-N
MW346.84 g/mol
LogP4.18
Rot. Bonds4

About (E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

(E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (PubChem CID 24610850) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is (E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
PubChem CID24610850
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name(E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)s1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H15ClN2O2S/c18-15-9-7-14(23-15)8-10-16(21)19-12-3-5-13(6-4-12)20-11-1-2-17(20)22/h3-10H,1-2,11H2,(H,19,21)/b10-8+
InChIKeyYQYBILMVIHCUAR-CSKARUKUSA-N
XLogP4.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.18
H-Bond Donors ≤ 51
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-(3-chloro-4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 8748149
(E)-3-(4-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 8716549
(E)-N-[4-(diethylamino)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 46410099
N-[4-(methylsulfanylmethyl)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 72685032
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 8748279
(E)-3-(5-methylthiophen-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 8589449
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 46698969
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
(E)-3-[4-(cyanomethoxy)phenyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 27838110
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide
CID 25469691
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55381351

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (CID 24610850) is (E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(Cl)s1)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of (E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The InChIKey is YQYBILMVIHCUAR-CSKARUKUSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c18-15-9-7-14(23-15)8-10-16(21)19-12-3-5-13(6-4-12)20-11-1-2-17(20)22/h3-10H,1-2,11H2,(H,19,21)/b10-8+.
What are the key properties of (E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
(E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide has a molecular weight of 346.84 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chlorothiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 24610850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).