4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane

C22H24ClNO2S — CID 143810210

IUPAC4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane
SMILESCC.CONc1ccc(Sc2ccc(OC)c(-c3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C20H18ClNO2S.C2H6/c1-23-20-11-10-18(13-19(20)14-4-3-5-15(21)12-14)25-17-8-6-16(7-9-17)22-24-2;1-2/h3-13,22H,1-2H3;1-2H3
InChIKeyMJEJDWXQHRMDFS-UHFFFAOYSA-N
MW401.96 g/mol
LogP7.17
Rot. Bonds6

About 4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane

4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane (PubChem CID 143810210) has the molecular formula C22H24ClNO2S and a molecular weight of 401.96 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane
PubChem CID143810210
Molecular FormulaC22H24ClNO2S
Molecular Weight401.96 g/mol
Exact Mass401.12
IUPAC Name4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane
SMILESCC.CONc1ccc(Sc2ccc(OC)c(-c3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C20H18ClNO2S.C2H6/c1-23-20-11-10-18(13-19(20)14-4-3-5-15(21)12-14)25-17-8-6-16(7-9-17)22-24-2;1-2/h3-13,22H,1-2H3;1-2H3
InChIKeyMJEJDWXQHRMDFS-UHFFFAOYSA-N
XLogP7.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.96
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea
CID 58019940
[3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate
CID 141248604
4-(5-chloro-2-methoxyphenyl)-N-methylaniline
CID 116962443
[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
CID 68789943
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 58019873
2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride
CID 68790293
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline;hydrochloride
CID 68789956
N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine
CID 61033468
2-(3-chlorophenyl)sulfanyl-1,3-dimethoxybenzene
CID 132568881
1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine
CID 61033591
6-chloro-2-(3-chlorophenyl)-3-methoxypyridine
CID 174463483
N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
CID 134800977

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane?
The IUPAC name of 4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane (CID 143810210) is 4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane.
What is the SMILES notation for 4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane?
The canonical SMILES for 4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane is CC.CONc1ccc(Sc2ccc(OC)c(-c3cccc(Cl)c3)c2)cc1.
What is the InChIKey of 4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane?
The InChIKey is MJEJDWXQHRMDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S.C2H6/c1-23-20-11-10-18(13-19(20)14-4-3-5-15(21)12-14)25-17-8-6-16(7-9-17)22-24-2;1-2/h3-13,22H,1-2H3;1-2H3.
What are the key properties of 4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane?
4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane has a molecular weight of 401.96 g/mol, XLogP of 7.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane is sourced from PubChem (CID 143810210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).