N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C20H22ClN3O5S — CID 92647741

IUPACN-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H22ClN3O5S/c1-14(25)22-16-5-7-17(8-6-16)23-20(26)13-29-18-9-4-15(21)12-19(18)30(27,28)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyHKTCAJQCDSZTAR-UHFFFAOYSA-N
MW451.93 g/mol
LogP3.10
Rot. Bonds7

About N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 92647741) has the molecular formula C20H22ClN3O5S and a molecular weight of 451.93 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID92647741
Molecular FormulaC20H22ClN3O5S
Molecular Weight451.93 g/mol
Exact Mass451.10
IUPAC NameN-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H22ClN3O5S/c1-14(25)22-16-5-7-17(8-6-16)23-20(26)13-29-18-9-4-15(21)12-19(18)30(27,28)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyHKTCAJQCDSZTAR-UHFFFAOYSA-N
XLogP3.10
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147193
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-ethylphenyl)acetamide
CID 92647686
4-[[2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide
CID 92647737
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 92647738
N-(4-butylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647774
N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147347
2-(2-acetyl-4-chlorophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4783784
N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647698
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 92647718
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 92647717
2-(2,4-dichlorophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4798258

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 92647741) is N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide is CC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is HKTCAJQCDSZTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O5S/c1-14(25)22-16-5-7-17(8-6-16)23-20(26)13-29-18-9-4-15(21)12-19(18)30(27,28)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 451.93 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 92647741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).