N-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide

C19H16BrN3O2S2 — CID 3120895

IUPACN-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
SMILESCc1ccsc1C1CC(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N
InChIInChI=1S/C19H16BrN3O2S2/c1-11-6-7-26-18(11)14-8-16(24)23-19(15(14)9-21)27-10-17(25)22-13-4-2-12(20)3-5-13/h2-7,14H,8,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyMNOVJRFNNBGTSK-UHFFFAOYSA-N
MW462.39 g/mol
LogP4.53
Rot. Bonds5

About N-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide

N-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide (PubChem CID 3120895) has the molecular formula C19H16BrN3O2S2 and a molecular weight of 462.39 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
PubChem CID3120895
Molecular FormulaC19H16BrN3O2S2
Molecular Weight462.39 g/mol
Exact Mass460.99
IUPAC NameN-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
SMILESCc1ccsc1C1CC(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N
InChIInChI=1S/C19H16BrN3O2S2/c1-11-6-7-26-18(11)14-8-16(24)23-19(15(14)9-21)27-10-17(25)22-13-4-2-12(20)3-5-13/h2-7,14H,8,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyMNOVJRFNNBGTSK-UHFFFAOYSA-N
XLogP4.53
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.39
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[[(4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 1108615
N-(4-bromophenyl)-2-[[(4R)-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 1108614
2-[[(4S)-4-(4-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide
CID 1133844
N-(4-bromophenyl)-2-[[5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 3120821
N-(4-bromophenyl)-2-[[(4S)-5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 1108610
N-(4-bromophenyl)-2-[(5-cyano-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetamide
CID 661013
2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 3274304
N-(4-bromophenyl)-2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 3142289
2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 3736835
2-[[(4R)-5-cyano-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1385293
2-[[(4S)-5-cyano-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 126311054
2-[[(4R)-5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1080546

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide (CID 3120895) is N-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide is Cc1ccsc1C1CC(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N.
What is the InChIKey of N-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
The InChIKey is MNOVJRFNNBGTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2S2/c1-11-6-7-26-18(11)14-8-16(24)23-19(15(14)9-21)27-10-17(25)22-13-4-2-12(20)3-5-13/h2-7,14H,8,10H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
N-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide has a molecular weight of 462.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide is sourced from PubChem (CID 3120895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).