ethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate

C20H18F3N3O6S — CID 52909884

IUPACethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C20H18F3N3O6S/c1-3-31-16(28)13-8-9-33-15(13)24-14(27)10-26-17(29)19(2,25-18(26)30)11-4-6-12(7-5-11)32-20(21,22)23/h4-9H,3,10H2,1-2H3,(H,24,27)(H,25,30)/t19-/m1/s1
InChIKeyNNVDCOARDZZKRU-LJQANCHMSA-N
MW485.44 g/mol
LogP3.23
Rot. Bonds7

About ethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate

ethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate (PubChem CID 52909884) has the molecular formula C20H18F3N3O6S and a molecular weight of 485.44 g/mol. Its IUPAC name is ethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate
PubChem CID52909884
Molecular FormulaC20H18F3N3O6S
Molecular Weight485.44 g/mol
Exact Mass485.09
IUPAC Nameethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C20H18F3N3O6S/c1-3-31-16(28)13-8-9-33-15(13)24-14(27)10-26-17(29)19(2,25-18(26)30)11-4-6-12(7-5-11)32-20(21,22)23/h4-9H,3,10H2,1-2H3,(H,24,27)(H,25,30)/t19-/m1/s1
InChIKeyNNVDCOARDZZKRU-LJQANCHMSA-N
XLogP3.23
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 42964296
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41167122
ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 4315332
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18279030
ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 4008602
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2459874
2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 92786660
ethyl 2-[[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 2109734
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetamide
CID 52516692
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3666642
ethyl 2-[[2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 2568804
2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 42064247

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate (CID 52909884) is ethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)(F)F)cc2)C1=O.
What is the InChIKey of ethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is NNVDCOARDZZKRU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18F3N3O6S/c1-3-31-16(28)13-8-9-33-15(13)24-14(27)10-26-17(29)19(2,25-18(26)30)11-4-6-12(7-5-11)32-20(21,22)23/h4-9H,3,10H2,1-2H3,(H,24,27)(H,25,30)/t19-/m1/s1.
What are the key properties of ethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate?
ethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 485.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(4R)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 52909884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).