(2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide

C18H21NOS — CID 7458626

IUPAC(2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C18H21NOS/c1-13-9-10-17(14(2)11-13)21-15(3)18(20)19-12-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyDSNQXGNJVPPBTG-OAHLLOKOSA-N
MW299.44 g/mol
LogP4.10
Rot. Bonds5

About (2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide

(2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 7458626) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
PubChem CID7458626
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name(2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C18H21NOS/c1-13-9-10-17(14(2)11-13)21-15(3)18(20)19-12-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyDSNQXGNJVPPBTG-OAHLLOKOSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 46789422
(2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 8734748
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7352842
(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7793117
(2S)-N-(2,6-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734738
(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616394
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2S)-2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-benzylpropanamide
CID 7630952
(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734713
N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 47119370
(2S)-2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzylpropanamide
CID 7863346
N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304873

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide (CID 7458626) is (2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide is Cc1ccc(S[C@H](C)C(=O)NCc2ccccc2)c(C)c1.
What is the InChIKey of (2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is DSNQXGNJVPPBTG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NOS/c1-13-9-10-17(14(2)11-13)21-15(3)18(20)19-12-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide?
(2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide has a molecular weight of 299.44 g/mol, XLogP of 4.10, 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-(2,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 7458626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).