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

C17H18N2O3S — CID 129417632

IUPAC1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
SMILESC[C@@](O)(CNC(=O)NCc1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C17H18N2O3S/c1-17(21,15-9-12-5-2-3-7-14(12)22-15)11-19-16(20)18-10-13-6-4-8-23-13/h2-9,21H,10-11H2,1H3,(H2,18,19,20)/t17-/m1/s1
InChIKeyQLQZUPMQSSEQTM-QGZVFWFLSA-N
MW330.41 g/mol
LogP3.20
Rot. Bonds5

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

1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 129417632) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID129417632
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
SMILESC[C@@](O)(CNC(=O)NCc1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C17H18N2O3S/c1-17(21,15-9-12-5-2-3-7-14(12)22-15)11-19-16(20)18-10-13-6-4-8-23-13/h2-9,21H,10-11H2,1H3,(H2,18,19,20)/t17-/m1/s1
InChIKeyQLQZUPMQSSEQTM-QGZVFWFLSA-N
XLogP3.20
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.20
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-ylurea
CID 129416771
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 95983775
1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 166212107
1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111444243
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide
CID 86267113
1-(thiophen-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
CID 90498154
1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 94909098
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-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 71787409
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 86267084

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea (CID 129417632) is 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea is C[C@@](O)(CNC(=O)NCc1cccs1)c1cc2ccccc2o1.
What is the InChIKey of 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is QLQZUPMQSSEQTM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-17(21,15-9-12-5-2-3-7-14(12)22-15)11-19-16(20)18-10-13-6-4-8-23-13/h2-9,21H,10-11H2,1H3,(H2,18,19,20)/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea?
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 330.41 g/mol, XLogP of 3.20, 5 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-ylmethyl)urea is sourced from PubChem (CID 129417632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).