N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide

C19H15BrN2OS — CID 38885627

IUPACN-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C19H15BrN2OS/c20-16-4-1-5-17(11-16)22-19(23)15-6-8-18(9-7-15)24-13-14-3-2-10-21-12-14/h1-12H,13H2,(H,22,23)
InChIKeyAMQNBWHONNELOU-UHFFFAOYSA-N
MW399.31 g/mol
LogP5.39
Rot. Bonds5

About N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide

N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide (PubChem CID 38885627) has the molecular formula C19H15BrN2OS and a molecular weight of 399.31 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
PubChem CID38885627
Molecular FormulaC19H15BrN2OS
Molecular Weight399.31 g/mol
Exact Mass398.01
IUPAC NameN-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C19H15BrN2OS/c20-16-4-1-5-17(11-16)22-19(23)15-6-8-18(9-7-15)24-13-14-3-2-10-21-12-14/h1-12H,13H2,(H,22,23)
InChIKeyAMQNBWHONNELOU-UHFFFAOYSA-N
XLogP5.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.31
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide
CID 24620063
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55847896
4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 46669066
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55684932
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 78890950
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694
3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 34424924
ethyl 3-[4-(pyridin-3-ylmethylsulfanyl)anilino]benzoate
CID 142234389
N-(3-bromophenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329959
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
CID 167788659

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide (CID 38885627) is N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide is O=C(Nc1cccc(Br)c1)c1ccc(SCc2cccnc2)cc1.
What is the InChIKey of N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide?
The InChIKey is AMQNBWHONNELOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2OS/c20-16-4-1-5-17(11-16)22-19(23)15-6-8-18(9-7-15)24-13-14-3-2-10-21-12-14/h1-12H,13H2,(H,22,23).
What are the key properties of N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide?
N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide has a molecular weight of 399.31 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 38885627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).