2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C23H23N5O4S2 — CID 4780641

IUPAC2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESC=CCn1c(SCC(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)nc2sc(CC)cc2c1=O
InChIInChI=1S/C23H23N5O4S2/c1-4-11-27-19(30)16-12-15(5-2)34-18(16)24-22(27)33-13-17(29)26-28-20(31)23(3,25-21(28)32)14-9-7-6-8-10-14/h4,6-10,12H,1,5,11,13H2,2-3H3,(H,25,32)(H,26,29)
InChIKeyDNHMVOCYYSKWGU-UHFFFAOYSA-N
MW497.60 g/mol
LogP2.80
Rot. Bonds8

About 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 4780641) has the molecular formula C23H23N5O4S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID4780641
Molecular FormulaC23H23N5O4S2
Molecular Weight497.60 g/mol
Exact Mass497.12
IUPAC Name2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESC=CCn1c(SCC(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)nc2sc(CC)cc2c1=O
InChIInChI=1S/C23H23N5O4S2/c1-4-11-27-19(30)16-12-15(5-2)34-18(16)24-22(27)33-13-17(29)26-28-20(31)23(3,25-21(28)32)14-9-7-6-8-10-14/h4,6-10,12H,1,5,11,13H2,2-3H3,(H,25,32)(H,26,29)
InChIKeyDNHMVOCYYSKWGU-UHFFFAOYSA-N
XLogP2.80
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 4869709
(2R)-2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 2514569
2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46607337
methyl 5-[(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2514559
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2514565
2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 2380886
N-(2-methylpropyl)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 7558194
N-(2-methyl-4-oxopentan-3-yl)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 55484043
N-[2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16568952
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 7886144
N-carbamoyl-2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 3954942
methyl 2-[[2-(6-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CID 6491667

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 4780641) is 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is C=CCn1c(SCC(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)nc2sc(CC)cc2c1=O.
What is the InChIKey of 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is DNHMVOCYYSKWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S2/c1-4-11-27-19(30)16-12-15(5-2)34-18(16)24-22(27)33-13-17(29)26-28-20(31)23(3,25-21(28)32)14-9-7-6-8-10-14/h4,6-10,12H,1,5,11,13H2,2-3H3,(H,25,32)(H,26,29).
What are the key properties of 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 497.60 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 4780641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).