(2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide

C18H21NO3S — CID 28568404

IUPAC(2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide
SMILESCCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1
InChIInChI=1S/C18H21NO3S/c1-4-23-17-8-6-5-7-16(17)19-18(20)13(2)22-15-11-9-14(21-3)10-12-15/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyQTHVLIFGKJJWFV-CYBMUJFWSA-N
MW331.44 g/mol
LogP4.21
Rot. Bonds7

About (2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide

(2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide (PubChem CID 28568404) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide
PubChem CID28568404
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name(2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide
SMILESCCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1
InChIInChI=1S/C18H21NO3S/c1-4-23-17-8-6-5-7-16(17)19-18(20)13(2)22-15-11-9-14(21-3)10-12-15/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyQTHVLIFGKJJWFV-CYBMUJFWSA-N
XLogP4.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide
CID 132650139
(2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 38005426
N-(2-ethylsulfanylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133210230
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 92675918
(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 94027584
methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 719429
N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide
CID 132650621
2-(4-methoxyphenoxy)-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 17074273
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-tert-butylphenoxy)propanamide
CID 78810376
2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 18196102
4-methoxy-N-[2-(2-phenoxypropanoylamino)phenyl]benzamide
CID 17380470

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide (CID 28568404) is (2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide is CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1.
What is the InChIKey of (2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide?
The InChIKey is QTHVLIFGKJJWFV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-4-23-17-8-6-5-7-16(17)19-18(20)13(2)22-15-11-9-14(21-3)10-12-15/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide?
(2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide has a molecular weight of 331.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 28568404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).