methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate

C20H16N2O3S — CID 44918890

IUPACmethyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(=O)Cc2cccc3ccccc23)c(C#N)c1C
InChIInChI=1S/C20H16N2O3S/c1-12-16(11-21)19(26-18(12)20(24)25-2)22-17(23)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyQPEKJTNDHZJROW-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.05
Rot. Bonds4

About methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate

methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate (PubChem CID 44918890) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate
PubChem CID44918890
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Namemethyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(=O)Cc2cccc3ccccc23)c(C#N)c1C
InChIInChI=1S/C20H16N2O3S/c1-12-16(11-21)19(26-18(12)20(24)25-2)22-17(23)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyQPEKJTNDHZJROW-UHFFFAOYSA-N
XLogP4.05
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[3-(benzenesulfonyl)propanoylamino]-4-cyano-3-methylthiophene-2-carboxylate
CID 44918909
methyl 4-cyano-5-[[4-[(3-cyano-5-methoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoyl]amino]-3-methylthiophene-2-carboxylate
CID 4640060
ethyl 4-cyano-3-methyl-5-[(2-thiophen-2-ylacetyl)amino]thiophene-2-carboxylate
CID 41340120
ethyl 5-acetyl-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate
CID 4863579
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylacetamide
CID 108740257
methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate
CID 68756461
methyl 4-cyano-5-(dodecanoylamino)-3-methylthiophene-2-carboxylate
CID 3554452
methyl 4-cyano-3-methyl-5-(nonanoylamino)thiophene-2-carboxylate
CID 4586360
ethyl 4,5-dimethyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate
CID 1019649
2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 17173428
2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 61111501
methyl 5-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
CID 3627319

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate (CID 44918890) is methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate is COC(=O)c1sc(NC(=O)Cc2cccc3ccccc23)c(C#N)c1C.
What is the InChIKey of methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate?
The InChIKey is QPEKJTNDHZJROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-12-16(11-21)19(26-18(12)20(24)25-2)22-17(23)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10H2,1-2H3,(H,22,23).
What are the key properties of methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate?
methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate has a molecular weight of 364.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 44918890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).