3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide

C13H18ClNO3S — CID 71856556

IUPAC3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCOc1cc(C(=O)N(C)CCSC)cc(Cl)c1OC
InChIInChI=1S/C13H18ClNO3S/c1-15(5-6-19-4)13(16)9-7-10(14)12(18-3)11(8-9)17-2/h7-8H,5-6H2,1-4H3
InChIKeyQCEYCCIZUIPHOJ-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.79
Rot. Bonds6

About 3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide

3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide (PubChem CID 71856556) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
PubChem CID71856556
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCOc1cc(C(=O)N(C)CCSC)cc(Cl)c1OC
InChIInChI=1S/C13H18ClNO3S/c1-15(5-6-19-4)13(16)9-7-10(14)12(18-3)11(8-9)17-2/h7-8H,5-6H2,1-4H3
InChIKeyQCEYCCIZUIPHOJ-UHFFFAOYSA-N
XLogP2.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(3-chlorophenoxy)ethyl]-4,5-dimethoxy-N-methylbenzamide
CID 31643778
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742
3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 63928489
3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112698184
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 112698010
3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18110375
3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747389
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 27719528
3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide
CID 134058516
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 8001354
N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 115673500

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide (CID 71856556) is 3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide is COc1cc(C(=O)N(C)CCSC)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is QCEYCCIZUIPHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-15(5-6-19-4)13(16)9-7-10(14)12(18-3)11(8-9)17-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 303.81 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 71856556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).