N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane

C22H34N2O2S — CID 145260626

IUPACN-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane
SMILESCC.CC.Cc1ccc(Sc2ccccc2NC(=O)CNCCO)c(C)c1
InChIInChI=1S/C18H22N2O2S.2C2H6/c1-13-7-8-16(14(2)11-13)23-17-6-4-3-5-15(17)20-18(22)12-19-9-10-21;2*1-2/h3-8,11,19,21H,9-10,12H2,1-2H3,(H,20,22);2*1-2H3
InChIKeyLAOMOZIAQHDKHP-UHFFFAOYSA-N
MW390.59 g/mol
LogP5.03
Rot. Bonds7

About N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane

N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane (PubChem CID 145260626) has the molecular formula C22H34N2O2S and a molecular weight of 390.59 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane
PubChem CID145260626
Molecular FormulaC22H34N2O2S
Molecular Weight390.59 g/mol
Exact Mass390.23
IUPAC NameN-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane
SMILESCC.CC.Cc1ccc(Sc2ccccc2NC(=O)CNCCO)c(C)c1
InChIInChI=1S/C18H22N2O2S.2C2H6/c1-13-7-8-16(14(2)11-13)23-17-6-4-3-5-15(17)20-18(22)12-19-9-10-21;2*1-2/h3-8,11,19,21H,9-10,12H2,1-2H3,(H,20,22);2*1-2H3
InChIKeyLAOMOZIAQHDKHP-UHFFFAOYSA-N
XLogP5.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.59
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide
CID 126602009
tert-butyl N-[2-[2-(2,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-N-(2-hydroxyethyl)carbamate
CID 126602025
2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide
CID 145260622
2-[2-(2,4-dimethylphenyl)sulfanylanilino]ethene-1,1,2-tricarbonitrile
CID 168606776
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide
CID 28571076
2-[[2-[2-(2,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-methylsulfonylamino]ethyl methanesulfonate
CID 126602088
ethane;2-(2-hydroxyethylamino)-N-(7-hydroxynaphthalen-1-yl)acetamide
CID 91324175
N-(2-ethoxyphenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358452
1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone
CID 14797593
2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 108994489
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane?
The IUPAC name of N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane (CID 145260626) is N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane is CC.CC.Cc1ccc(Sc2ccccc2NC(=O)CNCCO)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane?
The InChIKey is LAOMOZIAQHDKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S.2C2H6/c1-13-7-8-16(14(2)11-13)23-17-6-4-3-5-15(17)20-18(22)12-19-9-10-21;2*1-2/h3-8,11,19,21H,9-10,12H2,1-2H3,(H,20,22);2*1-2H3.
What are the key properties of N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane?
N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane has a molecular weight of 390.59 g/mol, XLogP of 5.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane is sourced from PubChem (CID 145260626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).