N-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide

C25H22F2N4O2S — CID 142763626

IUPACN-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide
SMILESCOc1ccc(Cn2cc(CNNC(=S)C(=O)Nc3ccc(F)cc3F)c3ccccc32)cc1
InChIInChI=1S/C25H22F2N4O2S/c1-33-19-9-6-16(7-10-19)14-31-15-17(20-4-2-3-5-23(20)31)13-28-30-25(34)24(32)29-22-11-8-18(26)12-21(22)27/h2-12,15,28H,13-14H2,1H3,(H,29,32)(H,30,34)
InChIKeyBYDJCWVFKXNJHJ-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.54
Rot. Bonds7

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

N-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide (PubChem CID 142763626) has the molecular formula C25H22F2N4O2S and a molecular weight of 480.54 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide
PubChem CID142763626
Molecular FormulaC25H22F2N4O2S
Molecular Weight480.54 g/mol
Exact Mass480.14
IUPAC NameN-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide
SMILESCOc1ccc(Cn2cc(CNNC(=S)C(=O)Nc3ccc(F)cc3F)c3ccccc32)cc1
InChIInChI=1S/C25H22F2N4O2S/c1-33-19-9-6-16(7-10-19)14-31-15-17(20-4-2-3-5-23(20)31)13-28-30-25(34)24(32)29-22-11-8-18(26)12-21(22)27/h2-12,15,28H,13-14H2,1H3,(H,29,32)(H,30,34)
InChIKeyBYDJCWVFKXNJHJ-UHFFFAOYSA-N
XLogP4.54
TPSA67.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-[2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide
CID 142763633
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
N-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide
CID 41133307
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899943
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5147141
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 124825077
2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086914
4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 154688026
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155797600
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide (CID 142763626) is N-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide is COc1ccc(Cn2cc(CNNC(=S)C(=O)Nc3ccc(F)cc3F)c3ccccc32)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide?
The InChIKey is BYDJCWVFKXNJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2S/c1-33-19-9-6-16(7-10-19)14-31-15-17(20-4-2-3-5-23(20)31)13-28-30-25(34)24(32)29-22-11-8-18(26)12-21(22)27/h2-12,15,28H,13-14H2,1H3,(H,29,32)(H,30,34).
What are the key properties of N-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide?
N-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide has a molecular weight of 480.54 g/mol, XLogP of 4.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[2-[[1-[(4-methoxyphenyl)methyl]indol-3-yl]methyl]hydrazinyl]-2-sulfanylideneacetamide is sourced from PubChem (CID 142763626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).