N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide

C14H21NOS — CID 112789085

IUPACN-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C14H21NOS/c1-10(2)12-7-5-6-11(3)14(12)15-13(16)8-9-17-4/h5-7,10H,8-9H2,1-4H3,(H,15,16)
InChIKeyGQERGXNKDAJMPY-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.81
Rot. Bonds5

About N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide

N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide (PubChem CID 112789085) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide
PubChem CID112789085
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C14H21NOS/c1-10(2)12-7-5-6-11(3)14(12)15-13(16)8-9-17-4/h5-7,10H,8-9H2,1-4H3,(H,15,16)
InChIKeyGQERGXNKDAJMPY-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9154947
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
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N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
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4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide
CID 108796274
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679061
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3634082
3-(furan-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 18084161
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide (CID 112789085) is N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide is CSCCC(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide?
The InChIKey is GQERGXNKDAJMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10(2)12-7-5-6-11(3)14(12)15-13(16)8-9-17-4/h5-7,10H,8-9H2,1-4H3,(H,15,16).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide?
N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide has a molecular weight of 251.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 112789085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).