N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C19H20BrN3O3S — CID 24562007

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C19H20BrN3O3S/c1-3-22(11-14-9-10-15(20)27-14)16(24)12-23-17(25)19(2,21-18(23)26)13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3,(H,21,26)
InChIKeyZVFDTPQBITVNIM-UHFFFAOYSA-N
MW450.36 g/mol
LogP3.33
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 24562007) has the molecular formula C19H20BrN3O3S and a molecular weight of 450.36 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID24562007
Molecular FormulaC19H20BrN3O3S
Molecular Weight450.36 g/mol
Exact Mass449.04
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C19H20BrN3O3S/c1-3-22(11-14-9-10-15(20)27-14)16(24)12-23-17(25)19(2,21-18(23)26)13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3,(H,21,26)
InChIKeyZVFDTPQBITVNIM-UHFFFAOYSA-N
XLogP3.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24562010
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2575034
(5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9172206
N-benzyl-N-ethyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18099217
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide
CID 78621928
N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136699490
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2580097
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 2580426
N-[(2-chlorophenyl)methyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55594092
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595916
N-ethyl-N-(4-fluorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 78561438
N-benzyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 46533735

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 24562007) is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCN(Cc1ccc(Br)s1)C(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is ZVFDTPQBITVNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3S/c1-3-22(11-14-9-10-15(20)27-14)16(24)12-23-17(25)19(2,21-18(23)26)13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3,(H,21,26).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 450.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 24562007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).