N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C21H26N2O4S — CID 126394212

IUPACN-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1C
InChIInChI=1S/C21H26N2O4S/c1-15-6-7-18(12-16(15)2)22-21(24)14-27-20-9-8-19(13-17(20)3)28(25,26)23-10-4-5-11-23/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,22,24)
InChIKeyICNRMIMVAMLABM-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.41
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 126394212) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID126394212
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1C
InChIInChI=1S/C21H26N2O4S/c1-15-6-7-18(12-16(15)2)22-21(24)14-27-20-9-8-19(13-17(20)3)28(25,26)23-10-4-5-11-23/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,22,24)
InChIKeyICNRMIMVAMLABM-UHFFFAOYSA-N
XLogP3.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394235
N-(2-chlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126395278
N-(2,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126393916
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100796843
N-(2,6-diethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126397479
2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 16546036
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4619509
2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 3161694
2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 1226684
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 136818212
2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99968060
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 5124062

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 126394212) is N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is ICNRMIMVAMLABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-6-7-18(12-16(15)2)22-21(24)14-27-20-9-8-19(13-17(20)3)28(25,26)23-10-4-5-11-23/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,22,24).
What are the key properties of N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 402.52 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 126394212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).