1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea

C16H16N2O3S — CID 71804285

IUPAC1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
SMILESO=C(NCCC(O)c1cc2ccccc2o1)Nc1cccs1
InChIInChI=1S/C16H16N2O3S/c19-12(14-10-11-4-1-2-5-13(11)21-14)7-8-17-16(20)18-15-6-3-9-22-15/h1-6,9-10,12,19H,7-8H2,(H2,17,18,20)
InChIKeyWQVNRWOXTJXUSL-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.74
Rot. Bonds5

About 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea

1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea (PubChem CID 71804285) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
PubChem CID71804285
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
SMILESO=C(NCCC(O)c1cc2ccccc2o1)Nc1cccs1
InChIInChI=1S/C16H16N2O3S/c19-12(14-10-11-4-1-2-5-13(11)21-14)7-8-17-16(20)18-15-6-3-9-22-15/h1-6,9-10,12,19H,7-8H2,(H2,17,18,20)
InChIKeyWQVNRWOXTJXUSL-UHFFFAOYSA-N
XLogP3.74
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 71804286
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 97106399
1-[3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804496
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(oxan-4-yl)urea
CID 91812855
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
CID 129416771
1-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804381
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-bromofuran-2-carboxamide
CID 97414288
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-oxochromene-3-carboxamide
CID 71787831
(2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide
CID 97414269
1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol
CID 71150503
1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea
CID 95367303
N-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 71804264

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea (CID 71804285) is 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea is O=C(NCCC(O)c1cc2ccccc2o1)Nc1cccs1.
What is the InChIKey of 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea?
The InChIKey is WQVNRWOXTJXUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-12(14-10-11-4-1-2-5-13(11)21-14)7-8-17-16(20)18-15-6-3-9-22-15/h1-6,9-10,12,19H,7-8H2,(H2,17,18,20).
What are the key properties of 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea?
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea has a molecular weight of 316.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 71804285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).