N-[2-(4-methylsulfanylphenyl)ethyl]propanamide

C12H17NOS — CID 110790560

IUPACN-[2-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccc(SC)cc1
InChIInChI=1S/C12H17NOS/c1-3-12(14)13-9-8-10-4-6-11(15-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyWDDGEFFHGCLKQY-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.48
Rot. Bonds5

About N-[2-(4-methylsulfanylphenyl)ethyl]propanamide

N-[2-(4-methylsulfanylphenyl)ethyl]propanamide (PubChem CID 110790560) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[2-(4-methylsulfanylphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfanylphenyl)ethyl]propanamide
PubChem CID110790560
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-[2-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccc(SC)cc1
InChIInChI=1S/C12H17NOS/c1-3-12(14)13-9-8-10-4-6-11(15-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyWDDGEFFHGCLKQY-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

3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 115153341
1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 115169381
2-(4-fluorophenoxy)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 110790579
2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 122149946
1-tert-butyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 110776093
(E)-4-[2-(4-methylsulfanylphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 115177285
1-(2,2-dimethylpropyl)-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 110776095
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]propanamide
CID 112507167
(2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide
CID 110482514
2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 115175209
N-hydroxy-3-(4-methylsulfanylphenyl)propanamide
CID 59191041
N-[2-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 64866405

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
The IUPAC name of N-[2-(4-methylsulfanylphenyl)ethyl]propanamide (CID 110790560) is N-[2-(4-methylsulfanylphenyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
The canonical SMILES for N-[2-(4-methylsulfanylphenyl)ethyl]propanamide is CCC(=O)NCCc1ccc(SC)cc1.
What is the InChIKey of N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
The InChIKey is WDDGEFFHGCLKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-12(14)13-9-8-10-4-6-11(15-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
N-[2-(4-methylsulfanylphenyl)ethyl]propanamide 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 N-[2-(4-methylsulfanylphenyl)ethyl]propanamide is sourced from PubChem (CID 110790560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).