3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide

C14H20BrNOS — CID 113461448

IUPAC3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(C)N(C)C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H20BrNOS/c1-10-7-12(9-13(15)8-10)14(17)16(3)11(2)5-6-18-4/h7-9,11H,5-6H2,1-4H3
InChIKeyGGXAOBGDABLCPP-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.97
Rot. Bonds5

About 3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide

3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide (PubChem CID 113461448) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide
PubChem CID113461448
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(C)N(C)C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H20BrNOS/c1-10-7-12(9-13(15)8-10)14(17)16(3)11(2)5-6-18-4/h7-9,11H,5-6H2,1-4H3
InChIKeyGGXAOBGDABLCPP-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115869170
3-bromo-4-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 103707593
6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 115669895
3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113366826
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-bromo-N,5-dimethylbenzamide
CID 113460592
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103827012
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
CID 104851891
2-[(3-bromo-5-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 113460475
2-bromo-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 103765320
3,4-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-nitrobenzamide
CID 115636278
2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115683356
3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide
CID 104852714

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide (CID 113461448) is 3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide is CSCCC(C)N(C)C(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is GGXAOBGDABLCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-10-7-12(9-13(15)8-10)14(17)16(3)11(2)5-6-18-4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 330.29 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 113461448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).