3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea

C19H20N2OS2 — CID 7954747

IUPAC3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
SMILESCCc1ccc(NC(=S)N(Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C19H20N2OS2/c1-2-15-7-9-16(10-8-15)20-19(23)21(13-17-5-3-11-22-17)14-18-6-4-12-24-18/h3-12H,2,13-14H2,1H3,(H,20,23)
InChIKeyXXEXCDPZNUSNSE-UHFFFAOYSA-N
MW356.52 g/mol
LogP5.30
Rot. Bonds6

About 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea

3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea (PubChem CID 7954747) has the molecular formula C19H20N2OS2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
PubChem CID7954747
Molecular FormulaC19H20N2OS2
Molecular Weight356.52 g/mol
Exact Mass356.10
IUPAC Name3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
SMILESCCc1ccc(NC(=S)N(Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C19H20N2OS2/c1-2-15-7-9-16(10-8-15)20-19(23)21(13-17-5-3-11-22-17)14-18-6-4-12-24-18/h3-12H,2,13-14H2,1H3,(H,20,23)
InChIKeyXXEXCDPZNUSNSE-UHFFFAOYSA-N
XLogP5.30
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.52
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-1-[(4-ethylphenyl)methyl]-1-(furan-2-ylmethyl)thiourea
CID 4592206
3-(3-chloro-4-methylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 7988182
3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 8681181
3-[3-chloro-4-(trifluoromethyl)phenyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 44665633
1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 16554026
3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea
CID 4122094
3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea
CID 47510880
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-[(4-methylphenyl)methyl]thiourea
CID 4089065
1-[(3,4-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-3-(4-methylphenyl)thiourea
CID 17376956
3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea
CID 8628567
1-[(4-tert-butylphenyl)methyl]-1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)thiourea
CID 4061729

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea (CID 7954747) is 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea is CCc1ccc(NC(=S)N(Cc2ccco2)Cc2cccs2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea?
The InChIKey is XXEXCDPZNUSNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS2/c1-2-15-7-9-16(10-8-15)20-19(23)21(13-17-5-3-11-22-17)14-18-6-4-12-24-18/h3-12H,2,13-14H2,1H3,(H,20,23).
What are the key properties of 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea?
3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea has a molecular weight of 356.52 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 7954747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).