1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

C16H16N2O2S — CID 166212107

IUPAC1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCc1cc2ccccc2o1)NCc1cccs1
InChIInChI=1S/C16H16N2O2S/c19-16(18-11-14-5-3-9-21-14)17-8-7-13-10-12-4-1-2-6-15(12)20-13/h1-6,9-10H,7-8,11H2,(H2,17,18,19)
InChIKeyBJLFCWBZUYNRMU-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.54
Rot. Bonds5

About 1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 166212107) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID166212107
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCc1cc2ccccc2o1)NCc1cccs1
InChIInChI=1S/C16H16N2O2S/c19-16(18-11-14-5-3-9-21-14)17-8-7-13-10-12-4-1-2-6-15(12)20-13/h1-6,9-10H,7-8,11H2,(H2,17,18,19)
InChIKeyBJLFCWBZUYNRMU-UHFFFAOYSA-N
XLogP3.54
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111444243
1-[2-(1-benzofuran-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111818046
1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea
CID 111444232
N-(1-benzofuran-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 28669225
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 129417632
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 16794949
1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121020618
1-(1-benzofuran-2-ylmethyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924364
1-[2-[(S)-phenylsulfinyl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95770892
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923
N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide
CID 119799114
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
CID 96566342

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (CID 166212107) is 1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCCc1cc2ccccc2o1)NCc1cccs1.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is BJLFCWBZUYNRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-16(18-11-14-5-3-9-21-14)17-8-7-13-10-12-4-1-2-6-15(12)20-13/h1-6,9-10H,7-8,11H2,(H2,17,18,19).
What are the key properties of 1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 300.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 166212107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).