2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide

C21H28ClN3O3S — CID 52586973

IUPAC2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1)Cc1ccccc1Cl
InChIInChI=1S/C21H28ClN3O3S/c1-4-24(15-17-10-7-8-13-20(17)22)16-21(26)23-18-11-9-12-19(14-18)29(27,28)25(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3,(H,23,26)
InChIKeyNSYRYPNSEUKLEV-UHFFFAOYSA-N
MW437.99 g/mol
LogP3.83
Rot. Bonds10

About 2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide

2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 52586973) has the molecular formula C21H28ClN3O3S and a molecular weight of 437.99 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
PubChem CID52586973
Molecular FormulaC21H28ClN3O3S
Molecular Weight437.99 g/mol
Exact Mass437.15
IUPAC Name2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1)Cc1ccccc1Cl
InChIInChI=1S/C21H28ClN3O3S/c1-4-24(15-17-10-7-8-13-20(17)22)16-21(26)23-18-11-9-12-19(14-18)29(27,28)25(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3,(H,23,26)
InChIKeyNSYRYPNSEUKLEV-UHFFFAOYSA-N
XLogP3.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.99
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)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

2-(2-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 7950472
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 9306989
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetamide
CID 126213564
2-[(3-chlorophenyl)methyl-ethylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 52682337
methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate
CID 60565344
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 21371880
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 8766646
N-(3-chloro-4-methylphenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069656
2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide
CID 2695486
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 25387157
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100537477
2-(2,6-dichlorophenyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 7760312

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide (CID 52586973) is 2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide is CCN(CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is NSYRYPNSEUKLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O3S/c1-4-24(15-17-10-7-8-13-20(17)22)16-21(26)23-18-11-9-12-19(14-18)29(27,28)25(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3,(H,23,26).
What are the key properties of 2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 437.99 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 52586973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).