2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C26H31N3O3S — CID 163231465

IUPAC2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C26H31N3O3S/c1-18-11-12-22(28-21-13-15-29(16-14-21)33(3,31)32)17-25(18)26(30)27-19(2)23-10-6-8-20-7-4-5-9-24(20)23/h4-12,17,19,21,28H,13-16H2,1-3H3,(H,27,30)/t19-/m1/s1
InChIKeyVOAJDAPLFZWRAJ-LJQANCHMSA-N
MW465.62 g/mol
LogP4.48
Rot. Bonds6

About 2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 163231465) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is 2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID163231465
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC Name2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C26H31N3O3S/c1-18-11-12-22(28-21-13-15-29(16-14-21)33(3,31)32)17-25(18)26(30)27-19(2)23-10-6-8-20-7-4-5-9-24(20)23/h4-12,17,19,21,28H,13-16H2,1-3H3,(H,27,30)/t19-/m1/s1
InChIKeyVOAJDAPLFZWRAJ-LJQANCHMSA-N
XLogP4.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[4-methyl-3-(1-naphthalen-1-ylethylcarbamoyl)anilino]piperidine-1-carboxylate
CID 164866070
(2S)-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 175710910
2-methyl-5-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231716
(2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide
CID 163231794
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(pyrrolidin-3-ylmethylamino)benzamide
CID 163231588
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-[[(2S)-pyrrolidin-2-yl]methylamino]benzamide
CID 163231585
5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231845
5-[[(2S)-2-amino-3-(methanesulfonamido)propanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231684
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231513
5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 163231879
2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231750

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 163231465) is 2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is Cc1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is VOAJDAPLFZWRAJ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-18-11-12-22(28-21-13-15-29(16-14-21)33(3,31)32)17-25(18)26(30)27-19(2)23-10-6-8-20-7-4-5-9-24(20)23/h4-12,17,19,21,28H,13-16H2,1-3H3,(H,27,30)/t19-/m1/s1.
What are the key properties of 2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 465.62 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 163231465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).