4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide

C25H28N2O3S — CID 52522304

IUPAC4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C25H28N2O3S/c1-19-8-12-24(13-9-19)31(29,30)26-17-21-5-4-14-27(18-21)25(28)16-20-10-11-22-6-2-3-7-23(22)15-20/h2-3,6-13,15,21,26H,4-5,14,16-18H2,1H3/t21-/m1/s1
InChIKeySFIYJJSTJIRSRV-OAQYLSRUSA-N
MW436.58 g/mol
LogP3.91
Rot. Bonds6

About 4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide

4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide (PubChem CID 52522304) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
PubChem CID52522304
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C25H28N2O3S/c1-19-8-12-24(13-9-19)31(29,30)26-17-21-5-4-14-27(18-21)25(28)16-20-10-11-22-6-2-3-7-23(22)15-20/h2-3,6-13,15,21,26H,4-5,14,16-18H2,1H3/t21-/m1/s1
InChIKeySFIYJJSTJIRSRV-OAQYLSRUSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

4-methyl-N-[[1-[2-(4-nitrophenyl)acetyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 60618195
4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 52507385
1-[3-(bromomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 80659130
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
N-[[1-(4-aminobutanoyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 119314566
4-methoxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 45203635
N-[[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 119314559
N-[[(3R)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 95250014
N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 119314564
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
N,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide
CID 56521008
N-[[1-(4-amino-3-methoxybutanoyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120591312

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide (CID 52522304) is 4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)cc1.
What is the InChIKey of 4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is SFIYJJSTJIRSRV-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-19-8-12-24(13-9-19)31(29,30)26-17-21-5-4-14-27(18-21)25(28)16-20-10-11-22-6-2-3-7-23(22)15-20/h2-3,6-13,15,21,26H,4-5,14,16-18H2,1H3/t21-/m1/s1.
What are the key properties of 4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide?
4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 436.58 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 52522304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).