4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide

C18H20Cl2N2OS — CID 9124097

IUPAC4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CCSc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2OS/c1-21-18(23)14-5-3-13(4-6-14)12-22(2)9-10-24-17-11-15(19)7-8-16(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyQSZAOVGIPOMTSY-UHFFFAOYSA-N
MW383.34 g/mol
LogP4.58
Rot. Bonds7

About 4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide

4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide (PubChem CID 9124097) has the molecular formula C18H20Cl2N2OS and a molecular weight of 383.34 g/mol. Its IUPAC name is 4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide
PubChem CID9124097
Molecular FormulaC18H20Cl2N2OS
Molecular Weight383.34 g/mol
Exact Mass382.07
IUPAC Name4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CCSc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2OS/c1-21-18(23)14-5-3-13(4-6-14)12-22(2)9-10-24-17-11-15(19)7-8-16(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyQSZAOVGIPOMTSY-UHFFFAOYSA-N
XLogP4.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-chlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide
CID 9124093
4-[[2-(2,5-dichlorophenoxy)ethyl-methylamino]methyl]-N-methylbenzamide
CID 112797194
4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542014
N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine
CID 62685895
4-[[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-methylamino]methyl]-N-methylbenzamide
CID 51233025
methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
CID 37215555
4-[[[3-(carbamoylamino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
CID 42540850
3-[2-(2,5-dichlorophenyl)sulfanylethyl-propan-2-ylamino]propanoic acid
CID 60833765
4-[[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide
CID 9323475
N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide
CID 8623361
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
4-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)butanoic acid
CID 63033407

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide (CID 9124097) is 4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)CCSc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide?
The InChIKey is QSZAOVGIPOMTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2OS/c1-21-18(23)14-5-3-13(4-6-14)12-22(2)9-10-24-17-11-15(19)7-8-16(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide?
4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide has a molecular weight of 383.34 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 9124097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).