N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide

C22H22N2O4S — CID 9156766

IUPACN-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(C)cc2)c2cccnc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-16-5-7-17(8-6-16)22(25)24-15-21(18-4-3-13-23-14-18)29(26,27)20-11-9-19(28-2)10-12-20/h3-14,21H,15H2,1-2H3,(H,24,25)/t21-/m0/s1
InChIKeyPPVZORSHOOXKHW-NRFANRHFSA-N
MW410.50 g/mol
LogP3.34
Rot. Bonds7

About N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide

N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide (PubChem CID 9156766) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
PubChem CID9156766
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(C)cc2)c2cccnc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-16-5-7-17(8-6-16)22(25)24-15-21(18-4-3-13-23-14-18)29(26,27)20-11-9-19(28-2)10-12-20/h3-14,21H,15H2,1-2H3,(H,24,25)/t21-/m0/s1
InChIKeyPPVZORSHOOXKHW-NRFANRHFSA-N
XLogP3.34
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 42272378
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9156809
2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794316
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 38997861
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
CID 9156975
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
N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 21002175
4-chloro-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007712
4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007693
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 N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide?
The IUPAC name of N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide (CID 9156766) is N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide.
What is the SMILES notation for N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide?
The canonical SMILES for N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide is COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(C)cc2)c2cccnc2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide?
The InChIKey is PPVZORSHOOXKHW-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-16-5-7-17(8-6-16)22(25)24-15-21(18-4-3-13-23-14-18)29(26,27)20-11-9-19(28-2)10-12-20/h3-14,21H,15H2,1-2H3,(H,24,25)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide?
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide has a molecular weight of 410.50 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide is sourced from PubChem (CID 9156766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).