(Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide

C18H16N2O3S — CID 97359213

IUPAC(Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1cc(NC(=O)/C=C\c2cccs2)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C18H16N2O3S/c1-12-11-13(19-16(21)7-5-14-3-2-10-24-14)4-6-15(12)20-17(22)8-9-18(20)23/h2-7,10-11H,8-9H2,1H3,(H,19,21)/b7-5-
InChIKeyOYTVSCFGPMOAFH-ALCCZGGFSA-N
MW340.40 g/mol
LogP3.36
Rot. Bonds4

About (Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide

(Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 97359213) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID97359213
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1cc(NC(=O)/C=C\c2cccs2)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C18H16N2O3S/c1-12-11-13(19-16(21)7-5-14-3-2-10-24-14)4-6-15(12)20-17(22)8-9-18(20)23/h2-7,10-11H,8-9H2,1H3,(H,19,21)/b7-5-
InChIKeyOYTVSCFGPMOAFH-ALCCZGGFSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 27050693
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
2-pyrrolidin-1-yl-5-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 6929118
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
N-(3-amino-4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 76932979
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914
(E)-N-(5-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 53095133

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide (CID 97359213) is (Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide is Cc1cc(NC(=O)/C=C\c2cccs2)ccc1N1C(=O)CCC1=O.
What is the InChIKey of (Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is OYTVSCFGPMOAFH-ALCCZGGFSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-12-11-13(19-16(21)7-5-14-3-2-10-24-14)4-6-15(12)20-17(22)8-9-18(20)23/h2-7,10-11H,8-9H2,1H3,(H,19,21)/b7-5-.
What are the key properties of (Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
(Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 340.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 97359213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).