1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea

C19H20N2O2S — CID 90583385

IUPAC1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
SMILESCc1cccc(NC(=O)N(CCc2cccs2)Cc2ccoc2)c1
InChIInChI=1S/C19H20N2O2S/c1-15-4-2-5-17(12-15)20-19(22)21(13-16-8-10-23-14-16)9-7-18-6-3-11-24-18/h2-6,8,10-12,14H,7,9,13H2,1H3,(H,20,22)
InChIKeyHOHKVOCMUXWSCG-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.93
Rot. Bonds6

About 1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea

1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea (PubChem CID 90583385) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
PubChem CID90583385
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
SMILESCc1cccc(NC(=O)N(CCc2cccs2)Cc2ccoc2)c1
InChIInChI=1S/C19H20N2O2S/c1-15-4-2-5-17(12-15)20-19(22)21(13-16-8-10-23-14-16)9-7-18-6-3-11-24-18/h2-6,8,10-12,14H,7,9,13H2,1H3,(H,20,22)
InChIKeyHOHKVOCMUXWSCG-UHFFFAOYSA-N
XLogP4.93
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583396
3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 8561767
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
3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582837
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582843
1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea
CID 71804034
N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90583211
1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea
CID 90583109
N-benzyl-2-[cyclopropylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3382393
N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide
CID 90583373
N-(furan-3-ylmethyl)-2-phenoxy-N-(2-thiophen-2-ylethyl)propanamide
CID 71804174

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea (CID 90583385) is 1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea is Cc1cccc(NC(=O)N(CCc2cccs2)Cc2ccoc2)c1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea?
The InChIKey is HOHKVOCMUXWSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-15-4-2-5-17(12-15)20-19(22)21(13-16-8-10-23-14-16)9-7-18-6-3-11-24-18/h2-6,8,10-12,14H,7,9,13H2,1H3,(H,20,22).
What are the key properties of 1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea?
1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea has a molecular weight of 340.45 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 90583385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).