2-methylsulfanyl-N-(4-propylphenyl)acetamide

C12H17NOS — CID 112765657

IUPAC2-methylsulfanyl-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CSC)cc1
InChIInChI=1S/C12H17NOS/c1-3-4-10-5-7-11(8-6-10)13-12(14)9-15-2/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyQPLAPMRHPIPXKD-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.94
Rot. Bonds5

About 2-methylsulfanyl-N-(4-propylphenyl)acetamide

2-methylsulfanyl-N-(4-propylphenyl)acetamide (PubChem CID 112765657) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(4-propylphenyl)acetamide
PubChem CID112765657
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-methylsulfanyl-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CSC)cc1
InChIInChI=1S/C12H17NOS/c1-3-4-10-5-7-11(8-6-10)13-12(14)9-15-2/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyQPLAPMRHPIPXKD-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-propylphenyl)acetamide
CID 43216495
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide
CID 66103845
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide
CID 66230503
2-(3-aminobutylsulfanyl)-N-(4-propylphenyl)acetamide
CID 66233973
2-methyl-3-[4-[(2-methylsulfanylacetyl)amino]phenyl]propanoic acid
CID 120540736
2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide
CID 106679325
N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957889
2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
CID 2228588
2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide
CID 47077568
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide
CID 43301596
N-phenyl-2-(4-propylanilino)acetamide
CID 43215416

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-methylsulfanyl-N-(4-propylphenyl)acetamide (CID 112765657) is 2-methylsulfanyl-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-methylsulfanyl-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)CSC)cc1.
What is the InChIKey of 2-methylsulfanyl-N-(4-propylphenyl)acetamide?
The InChIKey is QPLAPMRHPIPXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-4-10-5-7-11(8-6-10)13-12(14)9-15-2/h5-8H,3-4,9H2,1-2H3,(H,13,14).
What are the key properties of 2-methylsulfanyl-N-(4-propylphenyl)acetamide?
2-methylsulfanyl-N-(4-propylphenyl)acetamide has a molecular weight of 223.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 112765657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).