4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide

C20H23N3O4S — CID 138993042

IUPAC4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C20H23N3O4S/c1-14-20(15(2)23(3)21-14)28(25,26)22-19(24)12-7-13-27-18-11-6-9-16-8-4-5-10-17(16)18/h4-6,8-11H,7,12-13H2,1-3H3,(H,22,24)
InChIKeyMXGQUMRORYTGJK-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.85
Rot. Bonds7

About 4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide

4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide (PubChem CID 138993042) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide.

Molecular Properties

Compound Name4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide
PubChem CID138993042
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C20H23N3O4S/c1-14-20(15(2)23(3)21-14)28(25,26)22-19(24)12-7-13-27-18-11-6-9-16-8-4-5-10-17(16)18/h4-6,8-11H,7,12-13H2,1-3H3,(H,22,24)
InChIKeyMXGQUMRORYTGJK-UHFFFAOYSA-N
XLogP2.85
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide
CID 51086083
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide
CID 47052132
6-naphthalen-1-yloxyhex-1-en-3-one
CID 134187093
N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide
CID 138993702
N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide
CID 46472167
2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
CID 8822975
4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide
CID 60554783
(2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid
CID 119238607
N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide
CID 75434277
N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide
CID 55706773
4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide
CID 175731670
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide?
The IUPAC name of 4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide (CID 138993042) is 4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide.
What is the SMILES notation for 4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide?
The canonical SMILES for 4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide is Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)CCCOc1cccc2ccccc12.
What is the InChIKey of 4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide?
The InChIKey is MXGQUMRORYTGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-14-20(15(2)23(3)21-14)28(25,26)22-19(24)12-7-13-27-18-11-6-9-16-8-4-5-10-17(16)18/h4-6,8-11H,7,12-13H2,1-3H3,(H,22,24).
What are the key properties of 4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide?
4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide has a molecular weight of 401.49 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide is sourced from PubChem (CID 138993042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).