N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide

C21H15BrClN3OS — CID 23945159

IUPACN-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide
SMILESN#Cc1ccc(-c2ccc(Cl)cc2)nc1SCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C21H15BrClN3OS/c22-16-4-8-18(9-5-16)25-20(27)11-12-28-21-15(13-24)3-10-19(26-21)14-1-6-17(23)7-2-14/h1-10H,11-12H2,(H,25,27)
InChIKeyHINBNZXVEQFPQZ-UHFFFAOYSA-N
MW472.80 g/mol
LogP6.16
Rot. Bonds6

About N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide

N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide (PubChem CID 23945159) has the molecular formula C21H15BrClN3OS and a molecular weight of 472.80 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide
PubChem CID23945159
Molecular FormulaC21H15BrClN3OS
Molecular Weight472.80 g/mol
Exact Mass470.98
IUPAC NameN-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide
SMILESN#Cc1ccc(-c2ccc(Cl)cc2)nc1SCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C21H15BrClN3OS/c22-16-4-8-18(9-5-16)25-20(27)11-12-28-21-15(13-24)3-10-19(26-21)14-1-6-17(23)7-2-14/h1-10H,11-12H2,(H,25,27)
InChIKeyHINBNZXVEQFPQZ-UHFFFAOYSA-N
XLogP6.16
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.80
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide
CID 23804302
N-(4-chlorophenyl)-3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanamide
CID 23917223
3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
CID 23889275
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)propanamide
CID 23833035
3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25047429
ethyl 4-[3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]propanoylamino]benzoate
CID 23833061
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide
CID 23833065
3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 23973384
3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)propanamide
CID 23861496
6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile
CID 46265751
N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide
CID 3128693
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide
CID 21233197

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide?
The IUPAC name of N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide (CID 23945159) is N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide is N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide?
The InChIKey is HINBNZXVEQFPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrClN3OS/c22-16-4-8-18(9-5-16)25-20(27)11-12-28-21-15(13-24)3-10-19(26-21)14-1-6-17(23)7-2-14/h1-10H,11-12H2,(H,25,27).
What are the key properties of N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide?
N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide has a molecular weight of 472.80 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide is sourced from PubChem (CID 23945159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).