N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide

C16H16BrNO2S — CID 78794386

IUPACN-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide
SMILESCN(Cc1ccccc1Br)C(=O)c1ccc(S(C)=O)cc1
InChIInChI=1S/C16H16BrNO2S/c1-18(11-13-5-3-4-6-15(13)17)16(19)12-7-9-14(10-8-12)21(2)20/h3-10H,11H2,1-2H3
InChIKeyUPZKJZZWJBWYPX-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.46
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide

N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide (PubChem CID 78794386) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide
PubChem CID78794386
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide
SMILESCN(Cc1ccccc1Br)C(=O)c1ccc(S(C)=O)cc1
InChIInChI=1S/C16H16BrNO2S/c1-18(11-13-5-3-4-6-15(13)17)16(19)12-7-9-14(10-8-12)21(2)20/h3-10H,11H2,1-2H3
InChIKeyUPZKJZZWJBWYPX-UHFFFAOYSA-N
XLogP3.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-3,4-dihydroxy-N-methylbenzamide
CID 103955411
3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 81472236
4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47230441
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
N-[(2-bromophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 32812242
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 26555339
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-bromophenyl)methyl]-3-cyano-N-methylbenzamide
CID 34867585
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide (CID 78794386) is N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide is CN(Cc1ccccc1Br)C(=O)c1ccc(S(C)=O)cc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide?
The InChIKey is UPZKJZZWJBWYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-18(11-13-5-3-4-6-15(13)17)16(19)12-7-9-14(10-8-12)21(2)20/h3-10H,11H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide?
N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide has a molecular weight of 366.28 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide is sourced from PubChem (CID 78794386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).