N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

C22H31N3O3S2 — CID 4818902

IUPACN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN(C)Cc2ccc(SC)cc2)c1
InChIInChI=1S/C22H31N3O3S2/c1-6-25(7-2)30(27,28)20-13-8-17(3)21(14-20)23-22(26)16-24(4)15-18-9-11-19(29-5)12-10-18/h8-14H,6-7,15-16H2,1-5H3,(H,23,26)
InChIKeyGBYRFERZEBHMNX-UHFFFAOYSA-N
MW449.64 g/mol
LogP3.82
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (PubChem CID 4818902) has the molecular formula C22H31N3O3S2 and a molecular weight of 449.64 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
PubChem CID4818902
Molecular FormulaC22H31N3O3S2
Molecular Weight449.64 g/mol
Exact Mass449.18
IUPAC NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN(C)Cc2ccc(SC)cc2)c1
InChIInChI=1S/C22H31N3O3S2/c1-6-25(7-2)30(27,28)20-13-8-17(3)21(14-20)23-22(26)16-24(4)15-18-9-11-19(29-5)12-10-18/h8-14H,6-7,15-16H2,1-5H3,(H,23,26)
InChIKeyGBYRFERZEBHMNX-UHFFFAOYSA-N
XLogP3.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.64
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]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-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 4849161
2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
CID 8901118
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100793296
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28547972
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100792145
N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 9221410
N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2990028
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 45372368
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100793293
N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 36799477
N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 2472619

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (CID 4818902) is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN(C)Cc2ccc(SC)cc2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The InChIKey is GBYRFERZEBHMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S2/c1-6-25(7-2)30(27,28)20-13-8-17(3)21(14-20)23-22(26)16-24(4)15-18-9-11-19(29-5)12-10-18/h8-14H,6-7,15-16H2,1-5H3,(H,23,26).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide has a molecular weight of 449.64 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 4818902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).