N-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide

C19H15F3N4O3S — CID 89013277

IUPACN-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
SMILESC=C1C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(NC(C)=O)c1
InChIInChI=1S/C19H15F3N4O3S/c1-11-17(28)26(14-3-5-15(6-4-14)30-19(20,21)22)18(29)25(11)10-13-7-8-23-16(9-13)24-12(2)27/h3-9H,1,10H2,2H3,(H,23,24,27)
InChIKeyIMMMZRQIUPXKRR-UHFFFAOYSA-N
MW436.42 g/mol
LogP4.13
Rot. Bonds5

About N-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide

N-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide (PubChem CID 89013277) has the molecular formula C19H15F3N4O3S and a molecular weight of 436.42 g/mol. Its IUPAC name is N-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
PubChem CID89013277
Molecular FormulaC19H15F3N4O3S
Molecular Weight436.42 g/mol
Exact Mass436.08
IUPAC NameN-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
SMILESC=C1C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(NC(C)=O)c1
InChIInChI=1S/C19H15F3N4O3S/c1-11-17(28)26(14-3-5-15(6-4-14)30-19(20,21)22)18(29)25(11)10-13-7-8-23-16(9-13)24-12(2)27/h3-9H,1,10H2,2H3,(H,23,24,27)
InChIKeyIMMMZRQIUPXKRR-UHFFFAOYSA-N
XLogP4.13
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide (CID 89013277) is N-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide is C=C1C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(NC(C)=O)c1.
What is the InChIKey of N-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?
The InChIKey is IMMMZRQIUPXKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3S/c1-11-17(28)26(14-3-5-15(6-4-14)30-19(20,21)22)18(29)25(11)10-13-7-8-23-16(9-13)24-12(2)27/h3-9H,1,10H2,2H3,(H,23,24,27).
What are the key properties of N-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?
N-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide has a molecular weight of 436.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-methylidene-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 89013277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).