N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide

C11H15NO2S — CID 107028771

IUPACN-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)S)c(C)c1
InChIInChI=1S/C11H15NO2S/c1-7-6-9(14-3)4-5-10(7)12-11(13)8(2)15/h4-6,8,15H,1-3H3,(H,12,13)
InChIKeyRYUKPUPSIFERIP-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.26
Rot. Bonds3

About N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide

N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide (PubChem CID 107028771) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide
PubChem CID107028771
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)S)c(C)c1
InChIInChI=1S/C11H15NO2S/c1-7-6-9(14-3)4-5-10(7)12-11(13)8(2)15/h4-6,8,15H,1-3H3,(H,12,13)
InChIKeyRYUKPUPSIFERIP-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498313
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide
CID 55129910
propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate
CID 116655687
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
2-(N'-hydroxycarbamimidoyl)-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide
CID 76951056
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea
CID 111453406
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
(2S,3S)-2-[(4-methoxy-2-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 62871543

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide (CID 107028771) is N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide is COc1ccc(NC(=O)C(C)S)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide?
The InChIKey is RYUKPUPSIFERIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-6-9(14-3)4-5-10(7)12-11(13)8(2)15/h4-6,8,15H,1-3H3,(H,12,13).
What are the key properties of N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide?
N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide has a molecular weight of 225.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide is sourced from PubChem (CID 107028771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).