1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea

C18H18N2O3S — CID 99873436

IUPAC1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
SMILESO=C(NCc1ccccc1)NCc1ccc([C@H](O)c2ccco2)s1
InChIInChI=1S/C18H18N2O3S/c21-17(15-7-4-10-23-15)16-9-8-14(24-16)12-20-18(22)19-11-13-5-2-1-3-6-13/h1-10,17,21H,11-12H2,(H2,19,20,22)/t17-/m1/s1
InChIKeyYROPJXNDWYJSLR-QGZVFWFLSA-N
MW342.42 g/mol
LogP3.42
Rot. Bonds6

About 1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea

1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea (PubChem CID 99873436) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
PubChem CID99873436
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
SMILESO=C(NCc1ccccc1)NCc1ccc([C@H](O)c2ccco2)s1
InChIInChI=1S/C18H18N2O3S/c21-17(15-7-4-10-23-15)16-9-8-14(24-16)12-20-18(22)19-11-13-5-2-1-3-6-13/h1-10,17,21H,11-12H2,(H2,19,20,22)/t17-/m1/s1
InChIKeyYROPJXNDWYJSLR-QGZVFWFLSA-N
XLogP3.42
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583773
1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873441
1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea
CID 121133668
1-(3,4-dichlorophenyl)-3-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 121133696
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-4-oxochromene-2-carboxamide
CID 121133440
4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 99873348
2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
CID 121133461
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 121133602
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 121133399
2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 99873352
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 121133649
2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 121133443

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea?
The IUPAC name of 1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea (CID 99873436) is 1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea.
What is the SMILES notation for 1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea?
The canonical SMILES for 1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea is O=C(NCc1ccccc1)NCc1ccc([C@H](O)c2ccco2)s1.
What is the InChIKey of 1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea?
The InChIKey is YROPJXNDWYJSLR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-17(15-7-4-10-23-15)16-9-8-14(24-16)12-20-18(22)19-11-13-5-2-1-3-6-13/h1-10,17,21H,11-12H2,(H2,19,20,22)/t17-/m1/s1.
What are the key properties of 1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea?
1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea has a molecular weight of 342.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea is sourced from PubChem (CID 99873436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).