N-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide

C18H23NO3S — CID 96533199

IUPACN-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide
SMILESCCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H23NO3S/c1-4-23(21,22)13-14(2)19(3)18(20)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14H,4,12-13H2,1-3H3/t14-/m1/s1
InChIKeyKQRSLXPNUKLIOD-CQSZACIVSA-N
MW333.45 g/mol
LogP2.66
Rot. Bonds6

About N-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide

N-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide (PubChem CID 96533199) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide
PubChem CID96533199
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide
SMILESCCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H23NO3S/c1-4-23(21,22)13-14(2)19(3)18(20)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14H,4,12-13H2,1-3H3/t14-/m1/s1
InChIKeyKQRSLXPNUKLIOD-CQSZACIVSA-N
XLogP2.66
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methyl-2-naphthalen-1-ylacetamide
CID 63222992
2-(2-chloro-6-fluorophenyl)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide
CID 95625361
N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide
CID 111695871
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid
CID 119955311
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 9262345
N-(3-aminopropyl)-2-naphthalen-1-yl-N-propan-2-ylacetamide
CID 43319276
3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 60989846
N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 51092598
2-[methyl-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid
CID 67597873
2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
CID 95625333
1-naphthalen-1-ylbutan-2-one
CID 4564544

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide (CID 96533199) is N-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide is CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide?
The InChIKey is KQRSLXPNUKLIOD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-4-23(21,22)13-14(2)19(3)18(20)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14H,4,12-13H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide?
N-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide has a molecular weight of 333.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 96533199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).