3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide

C11H14BrNO3S — CID 138025994

IUPAC3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide
SMILESCOc1cc(Br)cc(C(=O)NCCS(C)=O)c1
InChIInChI=1S/C11H14BrNO3S/c1-16-10-6-8(5-9(12)7-10)11(14)13-3-4-17(2)15/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyAWDPUPRLTFDVBI-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.57
Rot. Bonds5

About 3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide

3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide (PubChem CID 138025994) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide
PubChem CID138025994
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide
SMILESCOc1cc(Br)cc(C(=O)NCCS(C)=O)c1
InChIInChI=1S/C11H14BrNO3S/c1-16-10-6-8(5-9(12)7-10)11(14)13-3-4-17(2)15/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyAWDPUPRLTFDVBI-UHFFFAOYSA-N
XLogP1.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide
CID 103826990
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326
6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
CID 113278435
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
3-bromo-5-methoxy-N-propan-2-ylbenzamide
CID 138985588
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
3-bromo-1-(3-bromo-5-methoxyphenyl)propan-1-one
CID 134658371
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide
CID 103826993

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide?
The IUPAC name of 3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide (CID 138025994) is 3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide is COc1cc(Br)cc(C(=O)NCCS(C)=O)c1.
What is the InChIKey of 3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide?
The InChIKey is AWDPUPRLTFDVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c1-16-10-6-8(5-9(12)7-10)11(14)13-3-4-17(2)15/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide?
3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide has a molecular weight of 320.21 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide is sourced from PubChem (CID 138025994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).