ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate

C16H18N2O3S — CID 19850799

IUPACethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate
SMILESCCNC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC
InChIInChI=1S/C16H18N2O3S/c1-3-17-16(20)18-14-13(15(19)21-4-2)12(10-22-14)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H2,17,18,20)
InChIKeyKHRUOYPDJMELNC-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.73
Rot. Bonds5

About ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate

ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate (PubChem CID 19850799) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate
PubChem CID19850799
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Nameethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate
SMILESCCNC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC
InChIInChI=1S/C16H18N2O3S/c1-3-17-16(20)18-14-13(15(19)21-4-2)12(10-22-14)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H2,17,18,20)
InChIKeyKHRUOYPDJMELNC-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 804923
[(1S)-2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxo-1-phenylethyl]-methylazanium
CID 2098847
ethyl 2-(dodecanoylamino)-4-phenylthiophene-3-carboxylate
CID 3474274
ethyl 2-(phenylcarbamoylamino)-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate
CID 28693276
ethyl 2-[[2-(2-ethoxyacetyl)oxyacetyl]amino]-4-phenylthiophene-3-carboxylate
CID 8709597
ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate
CID 1049899
butan-2-yl-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]azanium
CID 5012648
ethyl 2-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 8826819
ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 2132970
ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate
CID 19174432
ethyl 4-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiophene-3-carboxylate
CID 18863094
ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate
CID 735051

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate (CID 19850799) is ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate is CCNC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate?
The InChIKey is KHRUOYPDJMELNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-3-17-16(20)18-14-13(15(19)21-4-2)12(10-22-14)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H2,17,18,20).
What are the key properties of ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate?
ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate has a molecular weight of 318.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate is sourced from PubChem (CID 19850799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).