(2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide

C19H25NO3S — CID 94821471

IUPAC(2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)[C@H](C)C(=O)N(C)CCc1cccc2ccccc12
InChIInChI=1S/C19H25NO3S/c1-14(2)24(22,23)15(3)19(21)20(4)13-12-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,14-15H,12-13H2,1-4H3/t15-/m1/s1
InChIKeyXXLHVEUPSPVBMT-OAHLLOKOSA-N
MW347.48 g/mol
LogP3.05
Rot. Bonds6

About (2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide

(2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide (PubChem CID 94821471) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is (2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide
PubChem CID94821471
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name(2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)[C@H](C)C(=O)N(C)CCc1cccc2ccccc12
InChIInChI=1S/C19H25NO3S/c1-14(2)24(22,23)15(3)19(21)20(4)13-12-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,14-15H,12-13H2,1-4H3/t15-/m1/s1
InChIKeyXXLHVEUPSPVBMT-OAHLLOKOSA-N
XLogP3.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 119309086
2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid
CID 122099616
N-methyl-N-(2-naphthalen-1-ylethyl)propan-2-amine
CID 117044251
2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)pentanamide
CID 119309088
3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide
CID 119758698
N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide
CID 60619049
(2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide
CID 95625088
3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 71925562
1-amino-N-methyl-N-(2-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115190049
2-(naphthalen-1-ylmethylsulfonyl)propanoic acid
CID 24690694
2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride
CID 119913312
(E)-3-(furan-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)prop-2-enamide
CID 60619076

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of (2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide (CID 94821471) is (2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for (2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)[C@H](C)C(=O)N(C)CCc1cccc2ccccc12.
What is the InChIKey of (2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide?
The InChIKey is XXLHVEUPSPVBMT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-14(2)24(22,23)15(3)19(21)20(4)13-12-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,14-15H,12-13H2,1-4H3/t15-/m1/s1.
What are the key properties of (2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide?
(2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide has a molecular weight of 347.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 94821471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).