N-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

C23H22F2N6O2S — CID 53127651

IUPACN-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1cn(C)nc1-c1cccc(OC)c1
InChIInChI=1S/C23H22F2N6O2S/c1-4-31-22(17-12-30(2)29-21(17)14-6-5-7-16(10-14)33-3)27-28-23(31)34-13-20(32)26-19-11-15(24)8-9-18(19)25/h5-12H,4,13H2,1-3H3,(H,26,32)
InChIKeyGIHARBATNKLETB-UHFFFAOYSA-N
MW484.53 g/mol
LogP4.38
Rot. Bonds8

About N-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 53127651) has the molecular formula C23H22F2N6O2S and a molecular weight of 484.53 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID53127651
Molecular FormulaC23H22F2N6O2S
Molecular Weight484.53 g/mol
Exact Mass484.15
IUPAC NameN-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1cn(C)nc1-c1cccc(OC)c1
InChIInChI=1S/C23H22F2N6O2S/c1-4-31-22(17-12-30(2)29-21(17)14-6-5-7-16(10-14)33-3)27-28-23(31)34-13-20(32)26-19-11-15(24)8-9-18(19)25/h5-12H,4,13H2,1-3H3,(H,26,32)
InChIKeyGIHARBATNKLETB-UHFFFAOYSA-N
XLogP4.38
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide 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

2-[[4-ethyl-5-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 53127723
N-(2,4-difluorophenyl)-2-[[4-ethyl-5-(3-methoxy-1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16880368
N-(3,5-dimethoxyphenyl)-2-[[4-ethyl-5-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 53127750
N-(2-ethyl-6-methylphenyl)-2-[[5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 53127682
2-[[4-ethyl-5-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 53127757
2-[[4-ethyl-5-(1-methyl-3-phenylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 53127880
N-(5-chloro-2-methoxyphenyl)-2-[[4-ethyl-5-(3-methoxy-1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16880453
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17301704
2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 2042438
2-[[4-ethyl-5-(1-methyl-3-phenylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53127879
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17301705
N-(2,5-difluorophenyl)-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43869982

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 53127651) is N-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1cn(C)nc1-c1cccc(OC)c1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is GIHARBATNKLETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O2S/c1-4-31-22(17-12-30(2)29-21(17)14-6-5-7-16(10-14)33-3)27-28-23(31)34-13-20(32)26-19-11-15(24)8-9-18(19)25/h5-12H,4,13H2,1-3H3,(H,26,32).
What are the key properties of N-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 484.53 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[[4-ethyl-5-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 53127651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).