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

C19H19BrN4O5S — CID 24562010

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)CN1C(=O)NC(C)(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C19H19BrN4O5S/c1-3-22(10-14-8-9-15(20)30-14)16(25)11-23-17(26)19(2,21-18(23)27)12-4-6-13(7-5-12)24(28)29/h4-9H,3,10-11H2,1-2H3,(H,21,27)
InChIKeyVIKDZFNALNBNAV-UHFFFAOYSA-N
MW495.36 g/mol
LogP3.23
Rot. Bonds7

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

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 24562010) has the molecular formula C19H19BrN4O5S and a molecular weight of 495.36 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID24562010
Molecular FormulaC19H19BrN4O5S
Molecular Weight495.36 g/mol
Exact Mass494.03
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)CN1C(=O)NC(C)(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C19H19BrN4O5S/c1-3-22(10-14-8-9-15(20)30-14)16(25)11-23-17(26)19(2,21-18(23)27)12-4-6-13(7-5-12)24(28)29/h4-9H,3,10-11H2,1-2H3,(H,21,27)
InChIKeyVIKDZFNALNBNAV-UHFFFAOYSA-N
XLogP3.23
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 18074722
N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 46628779
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2575034
N-(2-cyanoethyl)-N-methyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43011043
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180129
N-benzyl-N-ethyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18099217
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595916
N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180369
(5R)-3-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9172206
N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180175
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 40895044

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 24562010) is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CCN(Cc1ccc(Br)s1)C(=O)CN1C(=O)NC(C)(c2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is VIKDZFNALNBNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O5S/c1-3-22(10-14-8-9-15(20)30-14)16(25)11-23-17(26)19(2,21-18(23)27)12-4-6-13(7-5-12)24(28)29/h4-9H,3,10-11H2,1-2H3,(H,21,27).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 495.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 24562010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).