N-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide

C16H17NO2S — CID 12943034

IUPACN-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide
SMILESCSc1ccc(Oc2ccc(NC(C)=O)cc2)c(C)c1
InChIInChI=1S/C16H17NO2S/c1-11-10-15(20-3)8-9-16(11)19-14-6-4-13(5-7-14)17-12(2)18/h4-10H,1-3H3,(H,17,18)
InChIKeyXKMCPWUBIUBKMR-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.47
Rot. Bonds4

About N-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide

N-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide (PubChem CID 12943034) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide
PubChem CID12943034
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide
SMILESCSc1ccc(Oc2ccc(NC(C)=O)cc2)c(C)c1
InChIInChI=1S/C16H17NO2S/c1-11-10-15(20-3)8-9-16(11)19-14-6-4-13(5-7-14)17-12(2)18/h4-10H,1-3H3,(H,17,18)
InChIKeyXKMCPWUBIUBKMR-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-2-(methylthio)benzamide
CID 967770
2-[(2-aminophenyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 972877
N-[4-(acetylamino)phenyl]-2-[2,6-dimethyl-4-(methylsulfanyl)phenoxy]acetamide
CID 992727
2-(benzylthio)-N-(4-methoxyphenyl)propanamide
CID 2889957
4-{[2-(Benzylthio)acetyl]amino}phenyl propionate
CID 891549
4-(4-Methylsulfanyl-2-prop-2-enylphenoxy)aniline;hydrochloride
CID 12943029
N-(4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl)acetamide
CID 15941553
3-methyl-N-(4-phenylmethoxyphenyl)but-2-enamide
CID 731806
N-(4-Methoxy-phenyl)-2-p-tolylsulfanyl-acetamide
CID 788761
N-(4-methoxyphenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 875841
4-{[2-(Phenylthio)acetyl]amino}phenyl acetate
CID 891318
N-(4-ethoxyphenyl)-3-[(4-methylphenyl)thio]propanamide
CID 2194207

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide?
The IUPAC name of N-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide (CID 12943034) is N-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide is CSc1ccc(Oc2ccc(NC(C)=O)cc2)c(C)c1.
What is the InChIKey of N-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide?
The InChIKey is XKMCPWUBIUBKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-11-10-15(20-3)8-9-16(11)19-14-6-4-13(5-7-14)17-12(2)18/h4-10H,1-3H3,(H,17,18).
What are the key properties of N-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide?
N-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide has a molecular weight of 287.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-methylsulfanylphenoxy)phenyl]acetamide is sourced from PubChem (CID 12943034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).