N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide

C22H20Cl2N2O3S — CID 126012482

IUPACN-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccccc1
InChIInChI=1S/C22H20Cl2N2O3S/c23-19-11-12-20(24)21(13-19)30(28,29)26(15-18-9-5-2-6-10-18)16-22(27)25-14-17-7-3-1-4-8-17/h1-13H,14-16H2,(H,25,27)
InChIKeyXPCLTOFFFYNYNH-UHFFFAOYSA-N
MW463.39 g/mol
LogP4.50
Rot. Bonds8

About N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide

N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide (PubChem CID 126012482) has the molecular formula C22H20Cl2N2O3S and a molecular weight of 463.39 g/mol. Its IUPAC name is N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide
PubChem CID126012482
Molecular FormulaC22H20Cl2N2O3S
Molecular Weight463.39 g/mol
Exact Mass462.06
IUPAC NameN-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccccc1
InChIInChI=1S/C22H20Cl2N2O3S/c23-19-11-12-20(24)21(13-19)30(28,29)26(15-18-9-5-2-6-10-18)16-22(27)25-14-17-7-3-1-4-8-17/h1-13H,14-16H2,(H,25,27)
InChIKeyXPCLTOFFFYNYNH-UHFFFAOYSA-N
XLogP4.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 126392917
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28545720
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 988036
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28544429
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 1334485
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2290702
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 45371966
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 124538005
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1331141
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 9497459
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28544415
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100791732

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide (CID 126012482) is N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide?
The InChIKey is XPCLTOFFFYNYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3S/c23-19-11-12-20(24)21(13-19)30(28,29)26(15-18-9-5-2-6-10-18)16-22(27)25-14-17-7-3-1-4-8-17/h1-13H,14-16H2,(H,25,27).
What are the key properties of N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide?
N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide has a molecular weight of 463.39 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 126012482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).