2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide

C18H21NO2S — CID 53286343

IUPAC2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)C(C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C18H21NO2S/c1-12-9-10-15(11-13(12)2)21-14(3)18(20)19-16-7-5-6-8-17(16)22-4/h5-11,14H,1-4H3,(H,19,20)
InChIKeyBBXRPWBDAHBUGH-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.43
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide

2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 53286343) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
PubChem CID53286343
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)C(C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C18H21NO2S/c1-12-9-10-15(11-13(12)2)21-14(3)18(20)19-16-7-5-6-8-17(16)22-4/h5-11,14H,1-4H3,(H,19,20)
InChIKeyBBXRPWBDAHBUGH-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 95077645
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 21173368
2-(3,4-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 53266174
2-(3,4-dimethylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 17340995
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 53265989
(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 890330
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 17169390
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
(2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide
CID 1008812
(2R)-2-(4-fluorophenoxy)-N-(2-methylphenyl)propanamide
CID 7946714
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide (CID 53286343) is 2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)C(C)Oc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is BBXRPWBDAHBUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-12-9-10-15(11-13(12)2)21-14(3)18(20)19-16-7-5-6-8-17(16)22-4/h5-11,14H,1-4H3,(H,19,20).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 315.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 53286343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).