2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide

C17H20N2OS — CID 43724125

IUPAC2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide
SMILESCSc1ccc(C(C)Nc2ccc(CC(N)=O)cc2)cc1
InChIInChI=1S/C17H20N2OS/c1-12(14-5-9-16(21-2)10-6-14)19-15-7-3-13(4-8-15)11-17(18)20/h3-10,12,19H,11H2,1-2H3,(H2,18,20)
InChIKeyXFWNXMDWGZAFMH-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.61
Rot. Bonds6

About 2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide

2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide (PubChem CID 43724125) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide
PubChem CID43724125
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide
SMILESCSc1ccc(C(C)Nc2ccc(CC(N)=O)cc2)cc1
InChIInChI=1S/C17H20N2OS/c1-12(14-5-9-16(21-2)10-6-14)19-15-7-3-13(4-8-15)11-17(18)20/h3-10,12,19H,11H2,1-2H3,(H2,18,20)
InChIKeyXFWNXMDWGZAFMH-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline
CID 43192256
N-methyl-2-[4-[1-(4-methylphenyl)ethylamino]phenyl]acetamide
CID 43714072
2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
CID 66173321
2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide
CID 54898078
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid
CID 115352781
2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 61334963
2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide
CID 60782010
2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide
CID 110771193
2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
CID 64630132
2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide
CID 43724150
4-(difluoromethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43103644

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide (CID 43724125) is 2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide is CSc1ccc(C(C)Nc2ccc(CC(N)=O)cc2)cc1.
What is the InChIKey of 2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide?
The InChIKey is XFWNXMDWGZAFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12(14-5-9-16(21-2)10-6-14)19-15-7-3-13(4-8-15)11-17(18)20/h3-10,12,19H,11H2,1-2H3,(H2,18,20).
What are the key properties of 2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide?
2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 43724125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).