(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide

C19H17N3O2S — CID 90552334

IUPAC(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC#Cc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C19H17N3O2S/c23-18(10-9-17-4-2-14-25-17)20-11-1-3-15-5-7-16(8-6-15)22-13-12-21-19(22)24/h2,4-10,14H,11-13H2,(H,20,23)(H,21,24)/b10-9+
InChIKeyCTEYDUVGDGALNT-MDZDMXLPSA-N
MW351.43 g/mol
LogP2.46
Rot. Bonds4

About (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 90552334) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID90552334
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC#Cc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C19H17N3O2S/c23-18(10-9-17-4-2-14-25-17)20-11-1-3-15-5-7-16(8-6-15)22-13-12-21-19(22)24/h2,4-10,14H,11-13H2,(H,20,23)(H,21,24)/b10-9+
InChIKeyCTEYDUVGDGALNT-MDZDMXLPSA-N
XLogP2.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90552376
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-1,3-benzothiazole-2-carboxamide
CID 90552512
(E)-N-[3-(2-fluorophenyl)prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide
CID 90547793
3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90552532
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
CID 90552518
1-(2-ethoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
CID 90554539
(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-phenylethenesulfonamide
CID 90554600
1-(3,5-dimethoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
CID 90554549
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90552517
(E)-2-(4-methylphenyl)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]ethenesulfonamide
CID 90554630
N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 4165696
4-(2-oxoimidazolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 51074825

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide (CID 90552334) is (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NCC#Cc1ccc(N2CCNC2=O)cc1.
What is the InChIKey of (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is CTEYDUVGDGALNT-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-18(10-9-17-4-2-14-25-17)20-11-1-3-15-5-7-16(8-6-15)22-13-12-21-19(22)24/h2,4-10,14H,11-13H2,(H,20,23)(H,21,24)/b10-9+.
What are the key properties of (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 351.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 90552334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).