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

C25H28N2O3S — CID 52742496

IUPACN-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C25H28N2O3S/c1-26(24-11-7-9-21-8-3-4-10-23(21)24)25(28)17-14-20-12-15-22(16-13-20)31(29,30)27-18-5-2-6-19-27/h3-4,7-13,15-16H,2,5-6,14,17-19H2,1H3
InChIKeyRGICXPKTJATHNJ-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.61
Rot. Bonds6

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

N-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 52742496) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID52742496
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C25H28N2O3S/c1-26(24-11-7-9-21-8-3-4-10-23(21)24)25(28)17-14-20-12-15-22(16-13-20)31(29,30)27-18-5-2-6-19-27/h3-4,7-13,15-16H,2,5-6,14,17-19H2,1H3
InChIKeyRGICXPKTJATHNJ-UHFFFAOYSA-N
XLogP4.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43024933
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27795278
(2S)-2-methyl-3-[methyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]propanoic acid
CID 97234343
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 31843584
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 26979830
sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 23692705
N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 119442142
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27863741
N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119551317
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135715086
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 24660737
(2,6-dimethylphenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate
CID 24505765

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 52742496) is N-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is CN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is RGICXPKTJATHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-26(24-11-7-9-21-8-3-4-10-23(21)24)25(28)17-14-20-12-15-22(16-13-20)31(29,30)27-18-5-2-6-19-27/h3-4,7-13,15-16H,2,5-6,14,17-19H2,1H3.
What are the key properties of N-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 436.58 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-naphthalen-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 52742496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).