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

C18H22N2O4S — CID 9156623

IUPACN-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)[C@H](CNC(=O)C(C)C)c2cccnc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(2)18(21)20-12-17(14-5-4-10-19-11-14)25(22,23)16-8-6-15(24-3)7-9-16/h4-11,13,17H,12H2,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeyCNRORWTUFHMJKY-QGZVFWFLSA-N
MW362.45 g/mol
LogP2.38
Rot. Bonds7

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

N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide (PubChem CID 9156623) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
PubChem CID9156623
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)[C@H](CNC(=O)C(C)C)c2cccnc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(2)18(21)20-12-17(14-5-4-10-19-11-14)25(22,23)16-8-6-15(24-3)7-9-16/h4-11,13,17H,12H2,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeyCNRORWTUFHMJKY-QGZVFWFLSA-N
XLogP2.38
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
CID 9156975
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide
CID 9156929
2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794316
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
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)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride
CID 20982708
2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide
CID 9151804
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]butane-1-sulfonamide
CID 9156583
N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 21002175

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide (CID 9156623) is N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide is COc1ccc(S(=O)(=O)[C@H](CNC(=O)C(C)C)c2cccnc2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide?
The InChIKey is CNRORWTUFHMJKY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13(2)18(21)20-12-17(14-5-4-10-19-11-14)25(22,23)16-8-6-15(24-3)7-9-16/h4-11,13,17H,12H2,1-3H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide?
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide has a molecular weight of 362.45 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide is sourced from PubChem (CID 9156623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).