2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide

C18H19Cl2N3O4S — CID 100797562

IUPAC2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(CC(N)=O)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2N3O4S/c1-28(26,27)23(10-13-4-7-15(19)16(20)8-13)11-18(25)22-14-5-2-12(3-6-14)9-17(21)24/h2-8H,9-11H2,1H3,(H2,21,24)(H,22,25)
InChIKeyFGBWQDQGNWVLQB-UHFFFAOYSA-N
MW444.34 g/mol
LogP2.42
Rot. Bonds8

About 2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide

2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide (PubChem CID 100797562) has the molecular formula C18H19Cl2N3O4S and a molecular weight of 444.34 g/mol. Its IUPAC name is 2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide
PubChem CID100797562
Molecular FormulaC18H19Cl2N3O4S
Molecular Weight444.34 g/mol
Exact Mass443.05
IUPAC Name2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(CC(N)=O)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2N3O4S/c1-28(26,27)23(10-13-4-7-15(19)16(20)8-13)11-18(25)22-14-5-2-12(3-6-14)9-17(21)24/h2-8H,9-11H2,1H3,(H2,21,24)(H,22,25)
InChIKeyFGBWQDQGNWVLQB-UHFFFAOYSA-N
XLogP2.42
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]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

4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide
CID 126012394
ethyl 2-[4-[[2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100791878
2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100795313
ethyl 2-[4-[[2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetyl]amino]phenyl]acetate
CID 100794615
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 2301952
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126009467
N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148609
2-[4-[[2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100793363
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 4543333
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 126010033
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide
CID 113151399
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 100796093

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide (CID 100797562) is 2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(CC(N)=O)cc1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide?
The InChIKey is FGBWQDQGNWVLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O4S/c1-28(26,27)23(10-13-4-7-15(19)16(20)8-13)11-18(25)22-14-5-2-12(3-6-14)9-17(21)24/h2-8H,9-11H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of 2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide?
2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide has a molecular weight of 444.34 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 100797562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).