N-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide

C25H22ClN5O2S — CID 41404014

IUPACN-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C25H22ClN5O2S/c1-30(16-22(32)27-21-15-9-8-14-20(21)26)23(33)17-34-25-29-28-24(18-10-4-2-5-11-18)31(25)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,27,32)
InChIKeyUGPWEYIHGBDMBS-UHFFFAOYSA-N
MW492.00 g/mol
LogP4.78
Rot. Bonds8

About N-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide

N-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide (PubChem CID 41404014) has the molecular formula C25H22ClN5O2S and a molecular weight of 492.00 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
PubChem CID41404014
Molecular FormulaC25H22ClN5O2S
Molecular Weight492.00 g/mol
Exact Mass491.12
IUPAC NameN-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C25H22ClN5O2S/c1-30(16-22(32)27-21-15-9-8-14-20(21)26)23(33)17-34-25-29-28-24(18-10-4-2-5-11-18)31(25)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,27,32)
InChIKeyUGPWEYIHGBDMBS-UHFFFAOYSA-N
XLogP4.78
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.00
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
CID 26619713
N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
CID 8988228
N-(3-chloro-2-methylphenyl)-2-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126106125
N-(2-chlorophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1092241
N-(2-chlorophenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 7799529
N-(3-chloro-2-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 29453101
2-[[2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 112784153
2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 55426434
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 1023204
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3581742
N-(2-cyanophenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2394618
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 2577678

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide (CID 41404014) is N-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide?
The InChIKey is UGPWEYIHGBDMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2S/c1-30(16-22(32)27-21-15-9-8-14-20(21)26)23(33)17-34-25-29-28-24(18-10-4-2-5-11-18)31(25)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,27,32).
What are the key properties of N-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide has a molecular weight of 492.00 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide is sourced from PubChem (CID 41404014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).