N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide

C22H21ClN2O4S — CID 42989070

IUPACN-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
SMILESCN(c1ccc(OCC(=O)NCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-25(30(27,28)21-13-7-18(23)8-14-21)19-9-11-20(12-10-19)29-16-22(26)24-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyVFJWFSJOPKVXON-UHFFFAOYSA-N
MW444.94 g/mol
LogP3.86
Rot. Bonds8

About N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide

N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide (PubChem CID 42989070) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
PubChem CID42989070
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC NameN-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
SMILESCN(c1ccc(OCC(=O)NCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-25(30(27,28)21-13-7-18(23)8-14-21)19-9-11-20(12-10-19)29-16-22(26)24-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyVFJWFSJOPKVXON-UHFFFAOYSA-N
XLogP3.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 112775706
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 55335445
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-hydroxyethyl)acetamide
CID 92649083
N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 2332931
2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid
CID 4839549
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(2-methoxyphenyl)methyl]acetamide
CID 55328930
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide
CID 7643378
N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 1311358
[2-(benzylamino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16530867
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-phenylethyl)acetamide
CID 17247484
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 41179929

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide?
The IUPAC name of N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide (CID 42989070) is N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide?
The canonical SMILES for N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide is CN(c1ccc(OCC(=O)NCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide?
The InChIKey is VFJWFSJOPKVXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-25(30(27,28)21-13-7-18(23)8-14-21)19-9-11-20(12-10-19)29-16-22(26)24-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide?
N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide has a molecular weight of 444.94 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide is sourced from PubChem (CID 42989070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).