2-(2-methylsulfanylphenyl)-N-propylacetamide

C12H17NOS — CID 110485576

IUPAC2-(2-methylsulfanylphenyl)-N-propylacetamide
SMILESCCCNC(=O)Cc1ccccc1SC
InChIInChI=1S/C12H17NOS/c1-3-8-13-12(14)9-10-6-4-5-7-11(10)15-2/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyIZMXBNYDIYECEW-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.48
Rot. Bonds5

About 2-(2-methylsulfanylphenyl)-N-propylacetamide

2-(2-methylsulfanylphenyl)-N-propylacetamide (PubChem CID 110485576) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(2-methylsulfanylphenyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-methylsulfanylphenyl)-N-propylacetamide
PubChem CID110485576
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(2-methylsulfanylphenyl)-N-propylacetamide
SMILESCCCNC(=O)Cc1ccccc1SC
InChIInChI=1S/C12H17NOS/c1-3-8-13-12(14)9-10-6-4-5-7-11(10)15-2/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyIZMXBNYDIYECEW-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[(2-methylsulfanylphenyl)methyl]carbamate
CID 110477809
2-(2-methylsulfanylanilino)-N-propylpropanamide
CID 113219250
2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 39964497
N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide
CID 110466057
2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide
CID 110479161
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide
CID 110482652
1-[[(2S)-2-aminobutanoyl]amino]-3-[(2-methylsulfanylphenyl)methyl]urea
CID 58917863
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
N-butyl-2-methylsulfanylbenzamide
CID 59510338

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylphenyl)-N-propylacetamide?
The IUPAC name of 2-(2-methylsulfanylphenyl)-N-propylacetamide (CID 110485576) is 2-(2-methylsulfanylphenyl)-N-propylacetamide.
What is the SMILES notation for 2-(2-methylsulfanylphenyl)-N-propylacetamide?
The canonical SMILES for 2-(2-methylsulfanylphenyl)-N-propylacetamide is CCCNC(=O)Cc1ccccc1SC.
What is the InChIKey of 2-(2-methylsulfanylphenyl)-N-propylacetamide?
The InChIKey is IZMXBNYDIYECEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-8-13-12(14)9-10-6-4-5-7-11(10)15-2/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-methylsulfanylphenyl)-N-propylacetamide?
2-(2-methylsulfanylphenyl)-N-propylacetamide has a molecular weight of 223.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylphenyl)-N-propylacetamide is sourced from PubChem (CID 110485576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).