N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C22H27N5O3S2 — CID 4800764

IUPACN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2C)c1
InChIInChI=1S/C22H27N5O3S2/c1-5-27(6-2)32(29,30)18-13-12-16(3)19(14-18)23-20(28)15-31-22-25-24-21(26(22)4)17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3,(H,23,28)
InChIKeyQUNUPGNQNWNJPV-UHFFFAOYSA-N
MW473.62 g/mol
LogP3.55
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 4800764) has the molecular formula C22H27N5O3S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID4800764
Molecular FormulaC22H27N5O3S2
Molecular Weight473.62 g/mol
Exact Mass473.16
IUPAC NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2C)c1
InChIInChI=1S/C22H27N5O3S2/c1-5-27(6-2)32(29,30)18-13-12-16(3)19(14-18)23-20(28)15-31-22-25-24-21(26(22)4)17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3,(H,23,28)
InChIKeyQUNUPGNQNWNJPV-UHFFFAOYSA-N
XLogP3.55
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-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-[[5-[3-(diethylsulfamoyl)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 2087326
N-(2,5-dimethylphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3445729
2-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 30309412
N-(2-chlorophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1092241
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3583304
N-(2,5-dimethylphenyl)-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 126101546
N-(2-acetylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2623213
N-(2,5-dimethylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1130283
N-(2,5-dimethylphenyl)-2-[[4-methyl-5-(1-methyl-3-phenylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 53127938
2-[[5-[3-(diethylsulfamoyl)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 2080842
N-(2,6-diethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1206517
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 4800764) is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is QUNUPGNQNWNJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S2/c1-5-27(6-2)32(29,30)18-13-12-16(3)19(14-18)23-20(28)15-31-22-25-24-21(26(22)4)17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3,(H,23,28).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 473.62 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 4800764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).