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

C16H16BrNOS — CID 78906458

IUPACN-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H16BrNOS/c1-18(11-12-7-9-13(17)10-8-12)16(19)14-5-3-4-6-15(14)20-2/h3-10H,11H2,1-2H3
InChIKeyHJUHCGNBHLITFI-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.44
Rot. Bonds4

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

N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide (PubChem CID 78906458) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
PubChem CID78906458
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H16BrNOS/c1-18(11-12-7-9-13(17)10-8-12)16(19)14-5-3-4-6-15(14)20-2/h3-10H,11H2,1-2H3
InChIKeyHJUHCGNBHLITFI-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[methyl-(2-methylsulfanylbenzoyl)amino]methyl]benzoic acid
CID 167984259
N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
CID 79035791
N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide
CID 25465829
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 31362954
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 38005257
2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 28799501
5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600040
N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62176252
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide
CID 112790122

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide (CID 78906458) is N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide?
The InChIKey is HJUHCGNBHLITFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-18(11-12-7-9-13(17)10-8-12)16(19)14-5-3-4-6-15(14)20-2/h3-10H,11H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide?
N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide has a molecular weight of 350.28 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide is sourced from PubChem (CID 78906458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).