2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide

C22H21ClN2O4S — CID 40794323

IUPAC2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-16-4-10-20(11-5-16)30(27,28)21(17-3-2-12-24-13-17)14-25-22(26)15-29-19-8-6-18(23)7-9-19/h2-13,21H,14-15H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyPWDFPSKACUKNLC-NRFANRHFSA-N
MW444.94 g/mol
LogP3.75
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide

2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide (PubChem CID 40794323) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
PubChem CID40794323
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-16-4-10-20(11-5-16)30(27,28)21(17-3-2-12-24-13-17)14-25-22(26)15-29-19-8-6-18(23)7-9-19/h2-13,21H,14-15H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyPWDFPSKACUKNLC-NRFANRHFSA-N
XLogP3.75
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 16957820
2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 40903674
4-chloro-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007712
3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide
CID 9154652
2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794316
2-(4-chlorophenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]acetamide
CID 40774896
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
N-ethyl-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155037
N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155029
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9154878
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide
CID 20897097
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide (CID 40794323) is 2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide is Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccc(Cl)cc2)c2cccnc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide?
The InChIKey is PWDFPSKACUKNLC-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-16-4-10-20(11-5-16)30(27,28)21(17-3-2-12-24-13-17)14-25-22(26)15-29-19-8-6-18(23)7-9-19/h2-13,21H,14-15H2,1H3,(H,25,26)/t21-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide?
2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide has a molecular weight of 444.94 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 40794323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).