3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea

C18H16N2O4S — CID 71804140

IUPAC3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(Nc1ccc2c(c1)OCO2)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C18H16N2O4S/c21-18(19-14-3-4-16-17(8-14)24-12-23-16)20(9-13-5-6-22-11-13)10-15-2-1-7-25-15/h1-8,11H,9-10,12H2,(H,19,21)
InChIKeyUFTKIQQENQNFNZ-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.30
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea

3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 71804140) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID71804140
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(Nc1ccc2c(c1)OCO2)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C18H16N2O4S/c21-18(19-14-3-4-16-17(8-14)24-12-23-16)20(9-13-5-6-22-11-13)10-15-2-1-7-25-15/h1-8,11H,9-10,12H2,(H,19,21)
InChIKeyUFTKIQQENQNFNZ-UHFFFAOYSA-N
XLogP4.30
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea
CID 90583109
1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583385
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583396
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-difluorophenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4256505
1-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 970506
N-(1,3-benzodioxol-5-ylmethyl)-2-[prop-2-enyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4684829
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)carbamoyl-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 1028772
N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4172000
N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 71804056
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4126759
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 1028758
2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 71804069

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea (CID 71804140) is 3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea is O=C(Nc1ccc2c(c1)OCO2)N(Cc1ccoc1)Cc1cccs1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is UFTKIQQENQNFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c21-18(19-14-3-4-16-17(8-14)24-12-23-16)20(9-13-5-6-22-11-13)10-15-2-1-7-25-15/h1-8,11H,9-10,12H2,(H,19,21).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 356.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71804140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).