4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide

C16H20N2O3S — CID 51597397

IUPAC4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)Cc2ccccn2)cc1C
InChIInChI=1S/C16H20N2O3S/c1-12-10-15(7-8-16(12)21-3)22(19,20)18-13(2)11-14-6-4-5-9-17-14/h4-10,13,18H,11H2,1-3H3/t13-/m1/s1
InChIKeyHCFSREMPUKUKIY-CYBMUJFWSA-N
MW320.41 g/mol
LogP2.31
Rot. Bonds6

About 4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide

4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide (PubChem CID 51597397) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide
PubChem CID51597397
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)Cc2ccccn2)cc1C
InChIInChI=1S/C16H20N2O3S/c1-12-10-15(7-8-16(12)21-3)22(19,20)18-13(2)11-14-6-4-5-9-17-14/h4-10,13,18H,11H2,1-3H3/t13-/m1/s1
InChIKeyHCFSREMPUKUKIY-CYBMUJFWSA-N
XLogP2.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 6493568
N-[1-(2-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 55681681
N-(2-ethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 2991878
methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
CID 54937802
4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide
CID 37478664
(2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541476
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516
(2R)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 51593356
(2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 51593354
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320600

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide (CID 51597397) is 4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H](C)Cc2ccccn2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is HCFSREMPUKUKIY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12-10-15(7-8-16(12)21-3)22(19,20)18-13(2)11-14-6-4-5-9-17-14/h4-10,13,18H,11H2,1-3H3/t13-/m1/s1.
What are the key properties of 4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide?
4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 51597397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).