N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide

C17H20N2O4S — CID 51096727

IUPACN-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide
SMILESCc1cccnc1NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-13-5-3-11-18-17(13)19-16(20)6-4-12-23-14-7-9-15(10-8-14)24(2,21)22/h3,5,7-11H,4,6,12H2,1-2H3,(H,18,19,20)
InChIKeyDALZDICGQQDURZ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.59
Rot. Bonds7

About N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide

N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide (PubChem CID 51096727) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide
PubChem CID51096727
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide
SMILESCc1cccnc1NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-13-5-3-11-18-17(13)19-16(20)6-4-12-23-14-7-9-15(10-8-14)24(2,21)22/h3,5,7-11H,4,6,12H2,1-2H3,(H,18,19,20)
InChIKeyDALZDICGQQDURZ-UHFFFAOYSA-N
XLogP2.59
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate
CID 5059391
N-methylsulfonyl-4-(4-methylsulfonylphenoxy)butanamide
CID 56800043
5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
CID 107907296
N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide
CID 52668967
N-(1-methylpyrazol-4-yl)-4-(4-methylsulfonylphenoxy)butanamide
CID 51096516
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
N-[(2S)-3-methylbutan-2-yl]-4-(4-methylsulfonylphenoxy)butanamide
CID 94813249
N-benzyl-4-(4-methylsulfonylphenoxy)butanamide
CID 51096243
3-(2-aminophenoxy)-N-(3-methyl-2-pyridinyl)propanamide
CID 61094715
2-(4-iodophenoxy)-N-(3-methyl-2-pyridinyl)acetamide
CID 47110693
4-[4-(4-methylsulfonylphenoxy)butanoylamino]butanoic acid
CID 119170534
(2S)-2-[4-(4-methylsulfonylphenoxy)butanoylamino]propanoic acid
CID 119237843

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide (CID 51096727) is N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide is Cc1cccnc1NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide?
The InChIKey is DALZDICGQQDURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-5-3-11-18-17(13)19-16(20)6-4-12-23-14-7-9-15(10-8-14)24(2,21)22/h3,5,7-11H,4,6,12H2,1-2H3,(H,18,19,20).
What are the key properties of N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide?
N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide has a molecular weight of 348.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide is sourced from PubChem (CID 51096727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).