N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C26H30N2O3S — CID 43024933

IUPACN-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H30N2O3S/c1-27(20-22-9-13-23-7-3-4-8-24(23)19-22)26(29)16-12-21-10-14-25(15-11-21)32(30,31)28-17-5-2-6-18-28/h3-4,7-11,13-15,19H,2,5-6,12,16-18,20H2,1H3
InChIKeyPUSFVAJHOKYMAL-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.61
Rot. Bonds7

About N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 43024933) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID43024933
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC NameN-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H30N2O3S/c1-27(20-22-9-13-23-7-3-4-8-24(23)19-22)26(29)16-12-21-10-14-25(15-11-21)32(30,31)28-17-5-2-6-18-28/h3-4,7-11,13-15,19H,2,5-6,12,16-18,20H2,1H3
InChIKeyPUSFVAJHOKYMAL-UHFFFAOYSA-N
XLogP4.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27795278
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27863741
N-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 52742496
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 31843584
N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51147794
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 24660737
N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide
CID 38390372
(2S)-2-methyl-3-[methyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]propanoic acid
CID 97234343
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 46477648
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 26979830
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 55358005
N-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-phenylpentanamide
CID 144925781

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 43024933) is N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is CN(Cc1ccc2ccccc2c1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is PUSFVAJHOKYMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-27(20-22-9-13-23-7-3-4-8-24(23)19-22)26(29)16-12-21-10-14-25(15-11-21)32(30,31)28-17-5-2-6-18-28/h3-4,7-11,13-15,19H,2,5-6,12,16-18,20H2,1H3.
What are the key properties of N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 450.60 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 43024933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).