2-methylsulfanyl-N-(2-propoxyphenyl)acetamide

C12H17NO2S — CID 112793569

IUPAC2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)CSC
InChIInChI=1S/C12H17NO2S/c1-3-8-15-11-7-5-4-6-10(11)13-12(14)9-16-2/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyPKZOCAOCTREZNS-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.78
Rot. Bonds6

About 2-methylsulfanyl-N-(2-propoxyphenyl)acetamide

2-methylsulfanyl-N-(2-propoxyphenyl)acetamide (PubChem CID 112793569) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
PubChem CID112793569
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)CSC
InChIInChI=1S/C12H17NO2S/c1-3-8-15-11-7-5-4-6-10(11)13-12(14)9-16-2/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyPKZOCAOCTREZNS-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide
CID 34345609
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 112722694
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide
CID 42150419
2-(2-methoxyethoxy)-N-(2-propoxyphenyl)acetamide
CID 103606695
2-anilino-N-(2-propoxyphenyl)acetamide
CID 51286142
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
N-(2-butoxyphenyl)propanamide
CID 15943029
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-propoxyphenyl)acetamide?
The IUPAC name of 2-methylsulfanyl-N-(2-propoxyphenyl)acetamide (CID 112793569) is 2-methylsulfanyl-N-(2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-propoxyphenyl)acetamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-propoxyphenyl)acetamide is CCCOc1ccccc1NC(=O)CSC.
What is the InChIKey of 2-methylsulfanyl-N-(2-propoxyphenyl)acetamide?
The InChIKey is PKZOCAOCTREZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-8-15-11-7-5-4-6-10(11)13-12(14)9-16-2/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of 2-methylsulfanyl-N-(2-propoxyphenyl)acetamide?
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide has a molecular weight of 239.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-propoxyphenyl)acetamide is sourced from PubChem (CID 112793569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).