2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide

C23H24N2O4S — CID 40794316

IUPAC2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
SMILESCOc1ccc(CC(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-17-5-11-21(12-6-17)30(27,28)22(19-4-3-13-24-15-19)16-25-23(26)14-18-7-9-20(29-2)10-8-18/h3-13,15,22H,14,16H2,1-2H3,(H,25,26)/t22-/m1/s1
InChIKeySOUBXVXOKHMUCC-JOCHJYFZSA-N
MW424.52 g/mol
LogP3.27
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide

2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide (PubChem CID 40794316) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
PubChem CID40794316
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
SMILESCOc1ccc(CC(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-17-5-11-21(12-6-17)30(27,28)22(19-4-3-13-24-15-19)16-25-23(26)14-18-7-9-20(29-2)10-8-18/h3-13,15,22H,14,16H2,1-2H3,(H,25,26)/t22-/m1/s1
InChIKeySOUBXVXOKHMUCC-JOCHJYFZSA-N
XLogP3.27
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 21002175
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
CID 9156975
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9156809
4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 42272378
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide
CID 9156929
N-(2-methoxyethyl)-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155285
2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794323
2-(4-chlorophenoxy)-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 16957820
3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide
CID 9154652
N-(3-methoxypropyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155308

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide (CID 40794316) is 2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide is COc1ccc(CC(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide?
The InChIKey is SOUBXVXOKHMUCC-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-17-5-11-21(12-6-17)30(27,28)22(19-4-3-13-24-15-19)16-25-23(26)14-18-7-9-20(29-2)10-8-18/h3-13,15,22H,14,16H2,1-2H3,(H,25,26)/t22-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide?
2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide has a molecular weight of 424.52 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 40794316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).