N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide

C20H17F2N5O3S — CID 25437345

IUPACN-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccc(F)cc1)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C20H17F2N5O3S/c21-13-1-5-15(6-2-13)24-18(28)10-31-11-19(29)25-26-20(30)17-9-23-12-27(17)16-7-3-14(22)4-8-16/h1-9,12H,10-11H2,(H,24,28)(H,25,29)(H,26,30)
InChIKeyWLGMEPTZVPGOHP-UHFFFAOYSA-N
MW445.45 g/mol
LogP2.28
Rot. Bonds7

About N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide

N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide (PubChem CID 25437345) has the molecular formula C20H17F2N5O3S and a molecular weight of 445.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
PubChem CID25437345
Molecular FormulaC20H17F2N5O3S
Molecular Weight445.45 g/mol
Exact Mass445.10
IUPAC NameN-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccc(F)cc1)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C20H17F2N5O3S/c21-13-1-5-15(6-2-13)24-18(28)10-31-11-19(29)25-26-20(30)17-9-23-12-27(17)16-7-3-14(22)4-8-16/h1-9,12H,10-11H2,(H,24,28)(H,25,29)(H,26,30)
InChIKeyWLGMEPTZVPGOHP-UHFFFAOYSA-N
XLogP2.28
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418556
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9158171
3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide
CID 17474621
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
CID 40591024
3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide
CID 17461227
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 21175320
N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 11941116
N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 9476583
3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide
CID 4795823
3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide
CID 9418541

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide (CID 25437345) is N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)Nc1ccc(F)cc1)NNC(=O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The InChIKey is WLGMEPTZVPGOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O3S/c21-13-1-5-15(6-2-13)24-18(28)10-31-11-19(29)25-26-20(30)17-9-23-12-27(17)16-7-3-14(22)4-8-16/h1-9,12H,10-11H2,(H,24,28)(H,25,29)(H,26,30).
What are the key properties of N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide has a molecular weight of 445.45 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 25437345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).