N-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide

C15H12BrN3OS — CID 3318729

IUPACN-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1ccc(C#N)c(SCC(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C15H12BrN3OS/c1-10-6-7-11(8-17)15(18-10)21-9-14(20)19-13-5-3-2-4-12(13)16/h2-7H,9H2,1H3,(H,19,20)
InChIKeyOIKHWMHRIMBWFG-UHFFFAOYSA-N
MW362.25 g/mol
LogP3.76
Rot. Bonds4

About N-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide

N-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 3318729) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID3318729
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC NameN-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1ccc(C#N)c(SCC(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C15H12BrN3OS/c1-10-6-7-11(8-17)15(18-10)21-9-14(20)19-13-5-3-2-4-12(13)16/h2-7H,9H2,1H3,(H,19,20)
InChIKeyOIKHWMHRIMBWFG-UHFFFAOYSA-N
XLogP3.76
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 46265776
N-(2-bromophenyl)-2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetamide
CID 43812451
N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
CID 28580893
N-(2-bromophenyl)-2-[[3-cyano-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide
CID 23803951
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 865131
N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145487
2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 689229
N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 134025568
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromophenyl)acetamide
CID 2603961
ethyl 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetate
CID 5058723
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 5058447
N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide
CID 1076923

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide (CID 3318729) is N-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide is Cc1ccc(C#N)c(SCC(=O)Nc2ccccc2Br)n1.
What is the InChIKey of N-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is OIKHWMHRIMBWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-10-6-7-11(8-17)15(18-10)21-9-14(20)19-13-5-3-2-4-12(13)16/h2-7H,9H2,1H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide?
N-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 362.25 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 3318729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).