[2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate

C18H15NO3S2 — CID 3585331

IUPAC[2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate
SMILESO=C(NC(COC(=O)c1cccs1)c1ccccc1)c1cccs1
InChIInChI=1S/C18H15NO3S2/c20-17(15-8-4-10-23-15)19-14(13-6-2-1-3-7-13)12-22-18(21)16-9-5-11-24-16/h1-11,14H,12H2,(H,19,20)
InChIKeyFMIVZCFJSVLKPC-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.14
Rot. Bonds6

About [2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate

[2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate (PubChem CID 3585331) has the molecular formula C18H15NO3S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is [2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate
PubChem CID3585331
Molecular FormulaC18H15NO3S2
Molecular Weight357.46 g/mol
Exact Mass357.05
IUPAC Name[2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate
SMILESO=C(NC(COC(=O)c1cccs1)c1ccccc1)c1cccs1
InChIInChI=1S/C18H15NO3S2/c20-17(15-8-4-10-23-15)19-14(13-6-2-1-3-7-13)12-22-18(21)16-9-5-11-24-16/h1-11,14H,12H2,(H,19,20)
InChIKeyFMIVZCFJSVLKPC-UHFFFAOYSA-N
XLogP4.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
CID 114300019
(3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 141022338
(3S)-3-(4-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 717591
N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide
CID 95151159
(3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 1263207
N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 4122342
2,3-dichloropropyl thiophene-2-carboxylate
CID 102162681
[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] thiophene-2-carboxylate
CID 8631086
3-(2-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 45430554
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide
CID 93486739
N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
CID 9479293

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate?
The IUPAC name of [2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate (CID 3585331) is [2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate is O=C(NC(COC(=O)c1cccs1)c1ccccc1)c1cccs1.
What is the InChIKey of [2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate?
The InChIKey is FMIVZCFJSVLKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S2/c20-17(15-8-4-10-23-15)19-14(13-6-2-1-3-7-13)12-22-18(21)16-9-5-11-24-16/h1-11,14H,12H2,(H,19,20).
What are the key properties of [2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate?
[2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate has a molecular weight of 357.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate is sourced from PubChem (CID 3585331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).