N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide

C18H21NO2S — CID 132650617

IUPACN-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
SMILESCc1ccccc1OCC(C)NC(=O)CSc1ccccc1
InChIInChI=1S/C18H21NO2S/c1-14-8-6-7-11-17(14)21-12-15(2)19-18(20)13-22-16-9-4-3-5-10-16/h3-11,15H,12-13H2,1-2H3,(H,19,20)
InChIKeySEBRADLZOKDFGV-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.67
Rot. Bonds7

About N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide

N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide (PubChem CID 132650617) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
PubChem CID132650617
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
SMILESCc1ccccc1OCC(C)NC(=O)CSc1ccccc1
InChIInChI=1S/C18H21NO2S/c1-14-8-6-7-11-17(14)21-12-15(2)19-18(20)13-22-16-9-4-3-5-10-16/h3-11,15H,12-13H2,1-2H3,(H,19,20)
InChIKeySEBRADLZOKDFGV-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
CID 99998889
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 94623535
3-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 43240764
2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132651176
2-(2-fluorophenoxy)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 94623553
2-(2-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133166960
N-(1-phenylpropan-2-yl)-2-phenylsulfanylacetamide
CID 142934157
(2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-phenoxypropanamide
CID 94623488
2-(3,5-dimethoxyphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132654122
N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 132652265
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide
CID 94623512

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide (CID 132650617) is N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide is Cc1ccccc1OCC(C)NC(=O)CSc1ccccc1.
What is the InChIKey of N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide?
The InChIKey is SEBRADLZOKDFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-8-6-7-11-17(14)21-12-15(2)19-18(20)13-22-16-9-4-3-5-10-16/h3-11,15H,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide?
N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide has a molecular weight of 315.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 132650617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).