(2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide

C19H25NO3S — CID 95382799

IUPAC(2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H25NO3S/c1-13(2)24(22,23)15(4)19(21)20-14(3)11-16-9-10-17-7-5-6-8-18(17)12-16/h5-10,12-15H,11H2,1-4H3,(H,20,21)/t14-,15-/m0/s1
InChIKeyFYUSBQILICTVGB-GJZGRUSLSA-N
MW347.48 g/mol
LogP3.10
Rot. Bonds6

About (2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide

(2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 95382799) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide
PubChem CID95382799
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name(2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H25NO3S/c1-13(2)24(22,23)15(4)19(21)20-14(3)11-16-9-10-17-7-5-6-8-18(17)12-16/h5-10,12-15H,11H2,1-4H3,(H,20,21)/t14-,15-/m0/s1
InChIKeyFYUSBQILICTVGB-GJZGRUSLSA-N
XLogP3.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)propan-2-yl]-2-propan-2-ylsulfonylpropanamide
CID 51123377
2-acetamido-2-methyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]propanamide
CID 97318164
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea
CID 111505667
1-ethyl-1-(2-hydroxyethyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea
CID 110922200
(2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide
CID 91406698
(2R)-N-hydroxy-2-(naphthalen-2-ylmethylsulfonylamino)propanamide
CID 163972165
(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide
CID 71163130
N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 95160043
N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide
CID 66634823
[4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate
CID 168720430
1-[(2S)-4-methylsulfonylbutan-2-yl]-3-(naphthalen-2-ylmethyl)urea
CID 97227616
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of (2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide (CID 95382799) is (2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for (2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)Cc1ccc2ccccc2c1.
What is the InChIKey of (2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is FYUSBQILICTVGB-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-13(2)24(22,23)15(4)19(21)20-14(3)11-16-9-10-17-7-5-6-8-18(17)12-16/h5-10,12-15H,11H2,1-4H3,(H,20,21)/t14-,15-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide?
(2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 347.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 95382799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).