(2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide

C11H15NOS — CID 154255414

IUPAC(2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc([C@@H](C)C(N)=O)cc1C
InChIInChI=1S/C11H15NOS/c1-7-6-9(8(2)11(12)13)4-5-10(7)14-3/h4-6,8H,1-3H3,(H2,12,13)/t8-/m1/s1
InChIKeySMXPPTFMODCETF-MRVPVSSYSA-N
MW209.31 g/mol
LogP2.31
Rot. Bonds3

About (2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide

(2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide (PubChem CID 154255414) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide
PubChem CID154255414
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc([C@@H](C)C(N)=O)cc1C
InChIInChI=1S/C11H15NOS/c1-7-6-9(8(2)11(12)13)4-5-10(7)14-3/h4-6,8H,1-3H3,(H2,12,13)/t8-/m1/s1
InChIKeySMXPPTFMODCETF-MRVPVSSYSA-N
XLogP2.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide
CID 139557591
2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 154359257
(2R)-2-naphthalen-2-ylpropanamide
CID 101175106
1-(3-methyl-4-methylsulfanylphenyl)ethanone
CID 70350820
2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide
CID 21406754
methyl 2-(3-chloro-4-methylsulfanylphenyl)propanoate
CID 70816255
2-[4-(2-methylphenyl)phenyl]propanamide
CID 155097671
2,4-bis(4-hydroxy-3-methylsulfanylphenyl)pentan-3-one
CID 141015410
2-(1H-indol-5-yl)propanamide
CID 140559721
2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide
CID 66691200
(3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate
CID 117060576
2-isoquinolin-6-ylpropanamide
CID 66599621

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide?
The IUPAC name of (2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide (CID 154255414) is (2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide is CSc1ccc([C@@H](C)C(N)=O)cc1C.
What is the InChIKey of (2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide?
The InChIKey is SMXPPTFMODCETF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-7-6-9(8(2)11(12)13)4-5-10(7)14-3/h4-6,8H,1-3H3,(H2,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide?
(2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide has a molecular weight of 209.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 154255414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).