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

C18H20N2O3S — CID 111444243

IUPAC1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCC(O)(CNC(=O)NCCc1cc2ccccc2o1)c1cccs1
InChIInChI=1S/C18H20N2O3S/c1-18(22,16-7-4-10-24-16)12-20-17(21)19-9-8-14-11-13-5-2-3-6-15(13)23-14/h2-7,10-11,22H,8-9,12H2,1H3,(H2,19,20,21)
InChIKeyZVWMPCLTAXOFBC-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.24
Rot. Bonds6

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

1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (PubChem CID 111444243) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
PubChem CID111444243
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCC(O)(CNC(=O)NCCc1cc2ccccc2o1)c1cccs1
InChIInChI=1S/C18H20N2O3S/c1-18(22,16-7-4-10-24-16)12-20-17(21)19-9-8-14-11-13-5-2-3-6-15(13)23-14/h2-7,10-11,22H,8-9,12H2,1H3,(H2,19,20,21)
InChIKeyZVWMPCLTAXOFBC-UHFFFAOYSA-N
XLogP3.24
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752
1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 97317712
1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 166212107
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 129417632
1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea
CID 111444232
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea
CID 111442867
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
CID 129416771
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399204
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-(2-hydroxy-2-thiophen-2-ylpropyl)isoquinoline-1-carboxamide
CID 111441944
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 111443995

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (CID 111444243) is 1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is CC(O)(CNC(=O)NCCc1cc2ccccc2o1)c1cccs1.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The InChIKey is ZVWMPCLTAXOFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-18(22,16-7-4-10-24-16)12-20-17(21)19-9-8-14-11-13-5-2-3-6-15(13)23-14/h2-7,10-11,22H,8-9,12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea has a molecular weight of 344.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 111444243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).