N-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide

C15H11BrN2OS — CID 102818363

IUPACN-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2cc(Br)cc(C#N)c2)cc1
InChIInChI=1S/C15H11BrN2OS/c1-10(19)18-13-2-4-14(5-3-13)20-15-7-11(9-17)6-12(16)8-15/h2-8H,1H3,(H,18,19)
InChIKeyGFRPLGMOSCQDAU-UHFFFAOYSA-N
MW347.24 g/mol
LogP4.43
Rot. Bonds3

About N-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide

N-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide (PubChem CID 102818363) has the molecular formula C15H11BrN2OS and a molecular weight of 347.24 g/mol. Its IUPAC name is N-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide
PubChem CID102818363
Molecular FormulaC15H11BrN2OS
Molecular Weight347.24 g/mol
Exact Mass345.98
IUPAC NameN-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2cc(Br)cc(C#N)c2)cc1
InChIInChI=1S/C15H11BrN2OS/c1-10(19)18-13-2-4-14(5-3-13)20-15-7-11(9-17)6-12(16)8-15/h2-8H,1H3,(H,18,19)
InChIKeyGFRPLGMOSCQDAU-UHFFFAOYSA-N
XLogP4.43
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide
CID 70626300
N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
CID 70625915
3-bromo-5-(3-chlorophenyl)sulfanylbenzonitrile
CID 102818471
N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 15743749
N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)sulfanyl]phenyl]acetamide
CID 81042138
N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126494635
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide
CID 62910785
3-bromo-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzonitrile
CID 102818528
N-[4-(4-bromophenyl)sulfanylphenyl]-2-(cyanomethylsulfanyl)acetamide
CID 39909047
methyl 2-(3-bromo-5-cyanoanilino)acetate
CID 102815053
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
CID 51142297

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide (CID 102818363) is N-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2cc(Br)cc(C#N)c2)cc1.
What is the InChIKey of N-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide?
The InChIKey is GFRPLGMOSCQDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS/c1-10(19)18-13-2-4-14(5-3-13)20-15-7-11(9-17)6-12(16)8-15/h2-8H,1H3,(H,18,19).
What are the key properties of N-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide?
N-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide has a molecular weight of 347.24 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 102818363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).