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

C16H16N2O3S — CID 129416771

IUPAC1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
SMILESC[C@@](O)(CNC(=O)Nc1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C16H16N2O3S/c1-16(20,10-17-15(19)18-14-7-4-8-22-14)13-9-11-5-2-3-6-12(11)21-13/h2-9,20H,10H2,1H3,(H2,17,18,19)/t16-/m1/s1
InChIKeyHGDUQVZCVUMTDM-MRXNPFEDSA-N
MW316.38 g/mol
LogP3.52
Rot. Bonds4

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

1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea (PubChem CID 129416771) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
PubChem CID129416771
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
SMILESC[C@@](O)(CNC(=O)Nc1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C16H16N2O3S/c1-16(20,10-17-15(19)18-14-7-4-8-22-14)13-9-11-5-2-3-6-12(11)21-13/h2-9,20H,10H2,1H3,(H2,17,18,19)/t16-/m1/s1
InChIKeyHGDUQVZCVUMTDM-MRXNPFEDSA-N
XLogP3.52
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 129417632
1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea
CID 58044673
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide
CID 86267113
1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111444243
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
CID 71781951
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
CID 99999455
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
CID 99999453
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide
CID 99999850
1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea
CID 99872776
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 86267084
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea
CID 111442867
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99999937

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea (CID 129416771) is 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea is C[C@@](O)(CNC(=O)Nc1cccs1)c1cc2ccccc2o1.
What is the InChIKey of 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea?
The InChIKey is HGDUQVZCVUMTDM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-16(20,10-17-15(19)18-14-7-4-8-22-14)13-9-11-5-2-3-6-12(11)21-13/h2-9,20H,10H2,1H3,(H2,17,18,19)/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea?
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea has a molecular weight of 316.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 129416771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).