ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate

C20H17NO3S — CID 1049899

IUPACethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC=O
InChIInChI=1S/C20H17NO3S/c1-2-24-20(23)18-17(12-25-19(18)21-13-22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,21,22)
InChIKeyFWZZLYVFOMSQSK-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.83
Rot. Bonds6

About ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate

ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate (PubChem CID 1049899) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate
PubChem CID1049899
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Nameethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC=O
InChIInChI=1S/C20H17NO3S/c1-2-24-20(23)18-17(12-25-19(18)21-13-22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,21,22)
InChIKeyFWZZLYVFOMSQSK-UHFFFAOYSA-N
XLogP4.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[(E)-(2-oxocyclohexylidene)methyl]amino]-4-phenylthiophene-3-carboxylate
CID 6367851
4-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 804923
ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate
CID 19850799
ethyl 2-(dodecanoylamino)-4-phenylthiophene-3-carboxylate
CID 3474274
ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 2132970
ethyl 4-phenyl-2-[[2-[2-(4-phenylphenyl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 23848884
ethyl 4-(4-methylphenyl)-2-(phenacylamino)thiophene-3-carboxylate
CID 110825140
ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate
CID 19174432
ethyl 2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 1276617
ethyl 2-[[2-(2-ethoxyacetyl)oxyacetyl]amino]-4-phenylthiophene-3-carboxylate
CID 8709597
ethyl 2-benzamido-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 2218990

Frequently Asked Questions

What is the IUPAC name of ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate (CID 1049899) is ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC=O.
What is the InChIKey of ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate?
The InChIKey is FWZZLYVFOMSQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-2-24-20(23)18-17(12-25-19(18)21-13-22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,21,22).
What are the key properties of ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate?
ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate has a molecular weight of 351.43 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 1049899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).