3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide

C14H17Cl2NO2S — CID 54220848

IUPAC3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide
SMILESCCSCC(=O)C(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H17Cl2NO2S/c1-4-20-8-12(18)14(2,3)17-13(19)9-5-10(15)7-11(16)6-9/h5-7H,4,8H2,1-3H3,(H,17,19)
InChIKeyQCMGUOLNQLKTRB-UHFFFAOYSA-N
MW334.27 g/mol
LogP3.82
Rot. Bonds6

About 3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide

3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide (PubChem CID 54220848) has the molecular formula C14H17Cl2NO2S and a molecular weight of 334.27 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide
PubChem CID54220848
Molecular FormulaC14H17Cl2NO2S
Molecular Weight334.27 g/mol
Exact Mass333.04
IUPAC Name3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide
SMILESCCSCC(=O)C(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H17Cl2NO2S/c1-4-20-8-12(18)14(2,3)17-13(19)9-5-10(15)7-11(16)6-9/h5-7H,4,8H2,1-3H3,(H,17,19)
InChIKeyQCMGUOLNQLKTRB-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-oxobutyl] methanesulfonate
CID 54083760
3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide
CID 175166740
(4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate
CID 15754056
3,5-dichloro-N-propylbenzamide
CID 2767298
3,5-dichlorobenzohydrazide
CID 2735966
3-bromo-5-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 104630033
3-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-methylbenzamide
CID 104629940
3-bromo-N-(1-bromo-3-methylpentan-3-yl)-5-chlorobenzamide
CID 106169473
3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide
CID 114149347
3,5-dichloro-N-[2-[1-(2-methylsulfanylethyl)triazol-4-yl]propan-2-yl]benzamide
CID 154687798
2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 61262853
3-[amino(tert-butyl)carbamoyl]-5-chloro-N-methylbenzamide
CID 134113443

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide?
The IUPAC name of 3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide (CID 54220848) is 3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide is CCSCC(=O)C(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide?
The InChIKey is QCMGUOLNQLKTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2S/c1-4-20-8-12(18)14(2,3)17-13(19)9-5-10(15)7-11(16)6-9/h5-7H,4,8H2,1-3H3,(H,17,19).
What are the key properties of 3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide?
3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide has a molecular weight of 334.27 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide is sourced from PubChem (CID 54220848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).