1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea

C16H16N2O2S2 — CID 90583109

IUPAC1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C16H16N2O2S2/c19-16(17-9-14-3-1-7-21-14)18(10-13-5-6-20-12-13)11-15-4-2-8-22-15/h1-8,12H,9-11H2,(H,17,19)
InChIKeyWJCIHUBVQSCDMK-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.31
Rot. Bonds6

About 1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea

1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea (PubChem CID 90583109) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea
PubChem CID90583109
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C16H16N2O2S2/c19-16(17-9-14-3-1-7-21-14)18(10-13-5-6-20-12-13)11-15-4-2-8-22-15/h1-8,12H,9-11H2,(H,17,19)
InChIKeyWJCIHUBVQSCDMK-UHFFFAOYSA-N
XLogP4.31
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 71804069
N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 71804056
3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 71804140
1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea
CID 90583403
N-(furan-3-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 90582947
(E)-N-(furan-3-ylmethyl)-3-thiophen-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 71804105
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
2-(2-fluorophenoxy)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 71804082
3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 27718176
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
3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 90583258

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea (CID 90583109) is 1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)N(Cc1ccoc1)Cc1cccs1.
What is the InChIKey of 1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea?
The InChIKey is WJCIHUBVQSCDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c19-16(17-9-14-3-1-7-21-14)18(10-13-5-6-20-12-13)11-15-4-2-8-22-15/h1-8,12H,9-11H2,(H,17,19).
What are the key properties of 1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea?
1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea has a molecular weight of 332.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 90583109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).