(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide

C24H35N3O3S — CID 25468929

IUPAC(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H35N3O3S/c1-16(2)21(22(28)25-19-14-23(3,4)27-24(5,6)15-19)26-31(29,30)20-12-11-17-9-7-8-10-18(17)13-20/h7-13,16,19,21,26-27H,14-15H2,1-6H3,(H,25,28)/t21-/m1/s1
InChIKeyYQBRHXLPKRPNGB-OAQYLSRUSA-N
MW445.63 g/mol
LogP3.57
Rot. Bonds6

About (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide

(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide (PubChem CID 25468929) has the molecular formula C24H35N3O3S and a molecular weight of 445.63 g/mol. Its IUPAC name is (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
PubChem CID25468929
Molecular FormulaC24H35N3O3S
Molecular Weight445.63 g/mol
Exact Mass445.24
IUPAC Name(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H35N3O3S/c1-16(2)21(22(28)25-19-14-23(3,4)27-24(5,6)15-19)26-31(29,30)20-12-11-17-9-7-8-10-18(17)13-20/h7-13,16,19,21,26-27H,14-15H2,1-6H3,(H,25,28)/t21-/m1/s1
InChIKeyYQBRHXLPKRPNGB-OAQYLSRUSA-N
XLogP3.57
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1-ethylpiperidin-4-yl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 36815103
N-(1-ethylpiperidin-4-yl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 42945663
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 30690800
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide
CID 18226548
N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43006861
N-[2-(diethylamino)ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43020352
(2S)-N-[2-(diethylamino)ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 29369119
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide
CID 18164733

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
The IUPAC name of (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide (CID 25468929) is (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide.
What is the SMILES notation for (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
The canonical SMILES for (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide is CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
The InChIKey is YQBRHXLPKRPNGB-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H35N3O3S/c1-16(2)21(22(28)25-19-14-23(3,4)27-24(5,6)15-19)26-31(29,30)20-12-11-17-9-7-8-10-18(17)13-20/h7-13,16,19,21,26-27H,14-15H2,1-6H3,(H,25,28)/t21-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide has a molecular weight of 445.63 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide is sourced from PubChem (CID 25468929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).