1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea

C14H16N2O2S — CID 27718189

IUPAC1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
SMILESC=CCNC(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C14H16N2O2S/c1-2-7-15-14(17)16(10-12-5-3-8-18-12)11-13-6-4-9-19-13/h2-6,8-9H,1,7,10-11H2,(H,15,17)
InChIKeyINKKWSVHXPCWHS-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.24
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea

1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 27718189) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
PubChem CID27718189
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
SMILESC=CCNC(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C14H16N2O2S/c1-2-7-15-14(17)16(10-12-5-3-8-18-12)11-13-6-4-9-19-13/h2-6,8-9H,1,7,10-11H2,(H,15,17)
InChIKeyINKKWSVHXPCWHS-UHFFFAOYSA-N
XLogP3.24
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 122021768
3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 27718176
3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 27718181
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 71781383
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78789331
N,N-bis(thiophen-2-ylmethyl)furan-2-carboxamide
CID 60682593

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea (CID 27718189) is 1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea is C=CCNC(=O)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is INKKWSVHXPCWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-7-15-14(17)16(10-12-5-3-8-18-12)11-13-6-4-9-19-13/h2-6,8-9H,1,7,10-11H2,(H,15,17).
What are the key properties of 1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea?
1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 276.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 27718189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).