(2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide

C18H22N2O4S — CID 51962041

IUPAC(2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide
SMILESC[C@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1ccn(C)c(=O)c1
InChIInChI=1S/C18H22N2O4S/c1-14(18(22)20(3)12-15-7-5-4-6-8-15)25(23,24)13-16-9-10-19(2)17(21)11-16/h4-11,14H,12-13H2,1-3H3/t14-/m1/s1
InChIKeyGGTLKCLNJURHDB-CQSZACIVSA-N
MW362.45 g/mol
LogP1.35
Rot. Bonds6

About (2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide

(2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide (PubChem CID 51962041) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide
PubChem CID51962041
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide
SMILESC[C@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1ccn(C)c(=O)c1
InChIInChI=1S/C18H22N2O4S/c1-14(18(22)20(3)12-15-7-5-4-6-8-15)25(23,24)13-16-9-10-19(2)17(21)11-16/h4-11,14H,12-13H2,1-3H3/t14-/m1/s1
InChIKeyGGTLKCLNJURHDB-CQSZACIVSA-N
XLogP1.35
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide
CID 42961408
(2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide
CID 51946927
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide
CID 51954078
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
3-benzylsulfonylbutan-2-one
CID 64644087
N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide
CID 86919646
5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid
CID 112516106
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
(2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1322663
N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 42961420
N-benzyl-2-methyl-N-methylsulfonylpropanamide
CID 124927817
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide?
The IUPAC name of (2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide (CID 51962041) is (2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide.
What is the SMILES notation for (2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide?
The canonical SMILES for (2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide is C[C@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1ccn(C)c(=O)c1.
What is the InChIKey of (2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide?
The InChIKey is GGTLKCLNJURHDB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14(18(22)20(3)12-15-7-5-4-6-8-15)25(23,24)13-16-9-10-19(2)17(21)11-16/h4-11,14H,12-13H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide?
(2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide has a molecular weight of 362.45 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-N-methyl-2-[(1-methyl-2-oxo-4-pyridinyl)methylsulfonyl]propanamide is sourced from PubChem (CID 51962041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).