N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide

C24H20F2N4OS — CID 142763633

IUPACN-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc(F)cc1)C(=S)NNCc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C24H20F2N4OS/c25-18-7-5-16(6-8-18)14-30-15-17(21-3-1-2-4-22(21)30)13-27-29-24(32)23(31)28-20-11-9-19(26)10-12-20/h1-12,15,27H,13-14H2,(H,28,31)(H,29,32)
InChIKeyUODYALRSOSFPEB-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.53
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide

N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide (PubChem CID 142763633) has the molecular formula C24H20F2N4OS and a molecular weight of 450.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide
PubChem CID142763633
Molecular FormulaC24H20F2N4OS
Molecular Weight450.51 g/mol
Exact Mass450.13
IUPAC NameN-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc(F)cc1)C(=S)NNCc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C24H20F2N4OS/c25-18-7-5-16(6-8-18)14-30-15-17(21-3-1-2-4-22(21)30)13-27-29-24(32)23(31)28-20-11-9-19(26)10-12-20/h1-12,15,27H,13-14H2,(H,28,31)(H,29,32)
InChIKeyUODYALRSOSFPEB-UHFFFAOYSA-N
XLogP4.53
TPSA58.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide
CID 142763626
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 46227998
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide
CID 2157618
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine
CID 124784130
2-(cyanoamino)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanoic acid
CID 87585983
(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823717
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 124783741
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one
CID 162395975
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide (CID 142763633) is N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide is O=C(Nc1ccc(F)cc1)C(=S)NNCc1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide?
The InChIKey is UODYALRSOSFPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4OS/c25-18-7-5-16(6-8-18)14-30-15-17(21-3-1-2-4-22(21)30)13-27-29-24(32)23(31)28-20-11-9-19(26)10-12-20/h1-12,15,27H,13-14H2,(H,28,31)(H,29,32).
What are the key properties of N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide?
N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide has a molecular weight of 450.51 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide is sourced from PubChem (CID 142763633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).