1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine

C22H18ClNOS — CID 91164715

IUPAC1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine
SMILESCOc1cccc(SC=C/C(=N\c2ccccc2)c2cccc(Cl)c2)c1
InChIInChI=1S/C22H18ClNOS/c1-25-20-11-6-12-21(16-20)26-14-13-22(17-7-5-8-18(23)15-17)24-19-9-3-2-4-10-19/h2-16H,1H3/b14-13?,24-22+
InChIKeyZEVUPCSMSSYDGF-OATCWFKESA-N
MW379.91 g/mol
LogP6.78
Rot. Bonds6

About 1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine

1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine (PubChem CID 91164715) has the molecular formula C22H18ClNOS and a molecular weight of 379.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine
PubChem CID91164715
Molecular FormulaC22H18ClNOS
Molecular Weight379.91 g/mol
Exact Mass379.08
IUPAC Name1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine
SMILESCOc1cccc(SC=C/C(=N\c2ccccc2)c2cccc(Cl)c2)c1
InChIInChI=1S/C22H18ClNOS/c1-25-20-11-6-12-21(16-20)26-14-13-22(17-7-5-8-18(23)15-17)24-19-9-3-2-4-10-19/h2-16H,1H3/b14-13?,24-22+
InChIKeyZEVUPCSMSSYDGF-OATCWFKESA-N
XLogP6.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.91
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-N-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-en-1-imine
CID 91443377
1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 91197103
3-(4-bromophenyl)sulfanyl-1-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine
CID 91104973
cyclohexylmethyl 3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-enimidothioate
CID 59648473
(E)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanylprop-2-en-1-imine
CID 87604088
2-phenylethyl 3-(3-methoxyphenyl)sulfanyl-N-(4-methylphenyl)prop-2-enimidothioate
CID 140521459
(E)-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 25261997
phenyl 3-(3-methylphenyl)sulfanyl-N-phenylprop-2-enimidate
CID 91159883
3-chloro-N'-[(E)-3-phenylsulfanylprop-2-enoyl]benzohydrazide
CID 9086685
3-methoxy-N'-phenylbenzenecarboximidamide
CID 70654752
phenyl 3-(3-bromophenyl)sulfanyl-N-phenylprop-2-enimidate
CID 90789321
3-(4-bromophenyl)sulfanyl-1-(4-methylphenyl)-N-phenylprop-2-en-1-imine
CID 90986507

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The IUPAC name of 1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine (CID 91164715) is 1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine is COc1cccc(SC=C/C(=N\c2ccccc2)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The InChIKey is ZEVUPCSMSSYDGF-OATCWFKESA-N. The full InChI is InChI=1S/C22H18ClNOS/c1-25-20-11-6-12-21(16-20)26-14-13-22(17-7-5-8-18(23)15-17)24-19-9-3-2-4-10-19/h2-16H,1H3/b14-13?,24-22+.
What are the key properties of 1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine has a molecular weight of 379.91 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3-methoxyphenyl)sulfanyl-N-phenylprop-2-en-1-imine is sourced from PubChem (CID 91164715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).