(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide

C20H19NOS — CID 7793117

IUPAC(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
SMILESC[C@@H](Sc1ccc2ccccc2c1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H19NOS/c1-15(20(22)21-14-16-7-3-2-4-8-16)23-19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15H,14H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyVCPNAKNSHXQFLW-OAHLLOKOSA-N
MW321.44 g/mol
LogP4.64
Rot. Bonds5

About (2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide

(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide (PubChem CID 7793117) has the molecular formula C20H19NOS and a molecular weight of 321.44 g/mol. Its IUPAC name is (2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
PubChem CID7793117
Molecular FormulaC20H19NOS
Molecular Weight321.44 g/mol
Exact Mass321.12
IUPAC Name(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
SMILESC[C@@H](Sc1ccc2ccccc2c1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H19NOS/c1-15(20(22)21-14-16-7-3-2-4-8-16)23-19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15H,14H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyVCPNAKNSHXQFLW-OAHLLOKOSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
(2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957294
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
N-benzyl-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 16514506
N-benzyl-2-naphthalen-2-ylpropanamide
CID 102432446
N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide
CID 133218931
(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide
CID 2500778
(2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 7402902
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide
CID 92675964
(2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 92675328
(2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458626

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide (CID 7793117) is (2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide is C[C@@H](Sc1ccc2ccccc2c1)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide?
The InChIKey is VCPNAKNSHXQFLW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19NOS/c1-15(20(22)21-14-16-7-3-2-4-8-16)23-19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15H,14H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide?
(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide has a molecular weight of 321.44 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide is sourced from PubChem (CID 7793117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).