N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide

C17H20N2O3S — CID 9153191

IUPACN-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-13(2)17(20)19-12-16(14-7-6-10-18-11-14)23(21,22)15-8-4-3-5-9-15/h3-11,13,16H,12H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyNHBWFEFRIIWCOK-INIZCTEOSA-N
MW332.43 g/mol
LogP2.37
Rot. Bonds6

About N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide

N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide (PubChem CID 9153191) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
PubChem CID9153191
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-13(2)17(20)19-12-16(14-7-6-10-18-11-14)23(21,22)15-8-4-3-5-9-15/h3-11,13,16H,12H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyNHBWFEFRIIWCOK-INIZCTEOSA-N
XLogP2.37
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
CID 9184545
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-[(2S)-butan-2-yl]oxamide
CID 9154240
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 9153385
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
CID 9153392
2-[[2-[[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 9154426
2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 9154417
2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide
CID 9151804
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9158355
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 9153010

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide?
The IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide (CID 9153191) is N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide?
The canonical SMILES for N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide is CC(C)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide?
The InChIKey is NHBWFEFRIIWCOK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13(2)17(20)19-12-16(14-7-6-10-18-11-14)23(21,22)15-8-4-3-5-9-15/h3-11,13,16H,12H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide?
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide has a molecular weight of 332.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide is sourced from PubChem (CID 9153191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).