N-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide

C17H18Cl2N2O2S — CID 58328954

IUPACN-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide
SMILESCNc1ccc(OCC(=O)NCCSc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O2S/c1-20-12-2-4-13(5-3-12)23-11-17(22)21-8-9-24-14-6-7-15(18)16(19)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyGXGVANIFKXARGC-UHFFFAOYSA-N
MW385.32 g/mol
LogP4.32
Rot. Bonds8

About N-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide

N-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide (PubChem CID 58328954) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide
PubChem CID58328954
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC NameN-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide
SMILESCNc1ccc(OCC(=O)NCCSc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O2S/c1-20-12-2-4-13(5-3-12)23-11-17(22)21-8-9-24-14-6-7-15(18)16(19)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyGXGVANIFKXARGC-UHFFFAOYSA-N
XLogP4.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dichlorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604221
N-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide
CID 76762054
2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 26374064
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 18266874
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate
CID 175188468
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119505786
N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-propanoylphenoxy)acetamide
CID 17394310
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide (CID 58328954) is N-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide is CNc1ccc(OCC(=O)NCCSc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide?
The InChIKey is GXGVANIFKXARGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c1-20-12-2-4-13(5-3-12)23-11-17(22)21-8-9-24-14-6-7-15(18)16(19)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,22).
What are the key properties of N-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide?
N-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide has a molecular weight of 385.32 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide is sourced from PubChem (CID 58328954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).