N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide

C20H16N2O2S — CID 1246602

IUPACN-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide
SMILESCc1sc(NC(=O)COc2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C20H16N2O2S/c1-14-19(15-8-4-2-5-9-15)17(12-21)20(25-14)22-18(23)13-24-16-10-6-3-7-11-16/h2-11H,13H2,1H3,(H,22,23)
InChIKeyAQIJZMDVLTWQSC-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.61
Rot. Bonds5

About N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide

N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide (PubChem CID 1246602) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide
PubChem CID1246602
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide
SMILESCc1sc(NC(=O)COc2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C20H16N2O2S/c1-14-19(15-8-4-2-5-9-15)17(12-21)20(25-14)22-18(23)13-24-16-10-6-3-7-11-16/h2-11H,13H2,1H3,(H,22,23)
InChIKeyAQIJZMDVLTWQSC-UHFFFAOYSA-N
XLogP4.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-3-methyl-N-(2-methylphenyl)-5-[(2-phenoxyacetyl)amino]thiophene-2-carboxamide
CID 1107403
4-(4-chloro-2-methylphenoxy)-N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)butanamide
CID 4172635
trans-(1S,2S)-2-[(3-cyano-5-methyl-4-phenylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40592367
2-[[2-[2-[(3-carboxy-5-methyl-4-phenylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylic acid
CID 46210702
4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 1015549
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide
CID 3610658
N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]butanamide
CID 4586733
diethyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-3-phenylthiophene-2,4-dicarboxylate
CID 126119034
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 649323
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 108757727
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802801
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 8720032

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide (CID 1246602) is N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide is Cc1sc(NC(=O)COc2ccccc2)c(C#N)c1-c1ccccc1.
What is the InChIKey of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide?
The InChIKey is AQIJZMDVLTWQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-14-19(15-8-4-2-5-9-15)17(12-21)20(25-14)22-18(23)13-24-16-10-6-3-7-11-16/h2-11H,13H2,1H3,(H,22,23).
What are the key properties of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide?
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide has a molecular weight of 348.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 1246602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).