N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide

C23H23F3N4O2S — CID 60519647

IUPACN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCC(Sc1nccn1-c1ccc(C(C)C)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C23H23F3N4O2S/c1-13(2)15-4-6-16(7-5-15)30-11-10-27-23(30)33-14(3)22(32)28-12-19(31)29-18-9-8-17(24)20(25)21(18)26/h4-11,13-14H,12H2,1-3H3,(H,28,32)(H,29,31)
InChIKeySRYWFPNSODPODP-UHFFFAOYSA-N
MW476.52 g/mol
LogP4.65
Rot. Bonds8

About N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 60519647) has the molecular formula C23H23F3N4O2S and a molecular weight of 476.52 g/mol. Its IUPAC name is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID60519647
Molecular FormulaC23H23F3N4O2S
Molecular Weight476.52 g/mol
Exact Mass476.15
IUPAC NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCC(Sc1nccn1-c1ccc(C(C)C)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C23H23F3N4O2S/c1-13(2)15-4-6-16(7-5-15)30-11-10-27-23(30)33-14(3)22(32)28-12-19(31)29-18-9-8-17(24)20(25)21(18)26/h4-11,13-14H,12H2,1-3H3,(H,28,32)(H,29,31)
InChIKeySRYWFPNSODPODP-UHFFFAOYSA-N
XLogP4.65
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide
CID 46675872
(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 2515229
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 46700096
(2S)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 41000908
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 86907817
(2R)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 2457916
N-(1-cyanocyclohexyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 60519612
2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
CID 119268558
(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide
CID 25390555
(2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675180
(2S)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675179
N-(2,4-difluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46625433

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide (CID 60519647) is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide is CC(Sc1nccn1-c1ccc(C(C)C)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is SRYWFPNSODPODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2S/c1-13(2)15-4-6-16(7-5-15)30-11-10-27-23(30)33-14(3)22(32)28-12-19(31)29-18-9-8-17(24)20(25)21(18)26/h4-11,13-14H,12H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide?
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 476.52 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 60519647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).