N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide

C20H20ClN3O3S — CID 78621928

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C20H20ClN3O3S/c1-3-11-23(12-15-9-10-16(21)28-15)17(25)13-24-18(26)20(2,22-19(24)27)14-7-5-4-6-8-14/h3-10H,1,11-13H2,2H3,(H,22,27)
InChIKeyNJCSGFRHODDUFW-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.38
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide (PubChem CID 78621928) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide
PubChem CID78621928
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C20H20ClN3O3S/c1-3-11-23(12-15-9-10-16(21)28-15)17(25)13-24-18(26)20(2,22-19(24)27)14-7-5-4-6-8-14/h3-10H,1,11-13H2,2H3,(H,22,27)
InChIKeyNJCSGFRHODDUFW-UHFFFAOYSA-N
XLogP3.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 24562007
3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropanoic acid
CID 55049541
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2575034
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 4790492
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)-N-prop-2-enylacetamide
CID 36897114
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-phenyl-N-prop-2-enylacetamide
CID 8625100
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2580097
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94814483
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide
CID 17431429
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 119688617
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 2580426

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide (CID 78621928) is N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide is C=CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide?
The InChIKey is NJCSGFRHODDUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-3-11-23(12-15-9-10-16(21)28-15)17(25)13-24-18(26)20(2,22-19(24)27)14-7-5-4-6-8-14/h3-10H,1,11-13H2,2H3,(H,22,27).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide has a molecular weight of 417.92 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 78621928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).