1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea

C18H16N2O4S — CID 163347257

IUPAC1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea
SMILESO=C(NCCc1ccc(-c2ccco2)s1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O4S/c21-18(20-12-3-5-14-16(10-12)24-11-23-14)19-8-7-13-4-6-17(25-13)15-2-1-9-22-15/h1-6,9-10H,7-8,11H2,(H2,19,20,21)
InChIKeyUVHPHPKFYSUTGC-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.10
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea

1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea (PubChem CID 163347257) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea
PubChem CID163347257
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea
SMILESO=C(NCCc1ccc(-c2ccco2)s1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O4S/c21-18(20-12-3-5-14-16(10-12)24-11-23-14)19-8-7-13-4-6-17(25-13)15-2-1-9-22-15/h1-6,9-10H,7-8,11H2,(H2,19,20,21)
InChIKeyUVHPHPKFYSUTGC-UHFFFAOYSA-N
XLogP4.10
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-3-thiophen-2-ylurea
CID 163347249
N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-N'-phenyloxamide
CID 163347218
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
1-(1,3-benzodioxol-5-yl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290583
1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea
CID 110372008
1-(1,3-benzodioxol-5-yl)-3-(3-oxobutyl)urea
CID 108895209
1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea
CID 6470232
1-(1,3-benzodioxol-5-yl)-3-hexylurea
CID 4107112
4-(dimethylamino)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide
CID 163347241
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
CID 110690742
1-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 970506
N-[3-[2-(1,3-benzodioxol-5-yl)ethylcarbamoylamino]phenyl]acetamide
CID 113217399

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea (CID 163347257) is 1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea is O=C(NCCc1ccc(-c2ccco2)s1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea?
The InChIKey is UVHPHPKFYSUTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c21-18(20-12-3-5-14-16(10-12)24-11-23-14)19-8-7-13-4-6-17(25-13)15-2-1-9-22-15/h1-6,9-10H,7-8,11H2,(H2,19,20,21).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea?
1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea has a molecular weight of 356.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]urea is sourced from PubChem (CID 163347257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).