3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide

C18H18Cl2N2O2S — CID 9224765

IUPAC3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CNC(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O2S/c1-2-21-17(23)10-22-18(24)13-5-3-4-12(8-13)11-25-16-9-14(19)6-7-15(16)20/h3-9H,2,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyLMOWRPGMSSLQIE-UHFFFAOYSA-N
MW397.33 g/mol
LogP4.15
Rot. Bonds7

About 3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide

3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide (PubChem CID 9224765) has the molecular formula C18H18Cl2N2O2S and a molecular weight of 397.33 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide
PubChem CID9224765
Molecular FormulaC18H18Cl2N2O2S
Molecular Weight397.33 g/mol
Exact Mass396.05
IUPAC Name3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CNC(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O2S/c1-2-21-17(23)10-22-18(24)13-5-3-4-12(8-13)11-25-16-9-14(19)6-7-15(16)20/h3-9H,2,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyLMOWRPGMSSLQIE-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-3-propylbenzamide
CID 71109879
4-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8756892
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide
CID 55890714
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
methyl 3-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzoate
CID 79133291
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 63582189
3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103841455
3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 55471554
3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294554
3-chloro-N-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55868514
3-chloro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981708

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide (CID 9224765) is 3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide is CCNC(=O)CNC(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The InChIKey is LMOWRPGMSSLQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2S/c1-2-21-17(23)10-22-18(24)13-5-3-4-12(8-13)11-25-16-9-14(19)6-7-15(16)20/h3-9H,2,10-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide?
3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide has a molecular weight of 397.33 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[2-(ethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9224765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).