3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea

C19H26N2O2S — CID 3681425

IUPAC3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
SMILESCCc1cccc(C)c1NC(=S)N(CCOC)C(C)c1ccco1
InChIInChI=1S/C19H26N2O2S/c1-5-16-9-6-8-14(2)18(16)20-19(24)21(11-13-22-4)15(3)17-10-7-12-23-17/h6-10,12,15H,5,11,13H2,1-4H3,(H,20,24)
InChIKeyZMBHSMIJKMIZFM-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.56
Rot. Bonds7

About 3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea

3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea (PubChem CID 3681425) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
PubChem CID3681425
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea
SMILESCCc1cccc(C)c1NC(=S)N(CCOC)C(C)c1ccco1
InChIInChI=1S/C19H26N2O2S/c1-5-16-9-6-8-14(2)18(16)20-19(24)21(11-13-22-4)15(3)17-10-7-12-23-17/h6-10,12,15H,5,11,13H2,1-4H3,(H,20,24)
InChIKeyZMBHSMIJKMIZFM-UHFFFAOYSA-N
XLogP4.56
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.56
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

1-(Furan-2-ylmethyl)-3-(2-methylphenyl)thiourea
CID 694026
5-(2-Furylmethyl)-1-(4-methylphenyl)-1,3,5-triazinane-2-thione
CID 3546592
1-(4-Acetylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 863535
N-(2-furylmethyl)-N'-[4-(4-morpholinylcarbonyl)phenyl]thiourea
CID 970217
1-(3-Acetylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 970276
4-{[(Furan-2-ylmethyl)carbamothioyl]amino}benzamide
CID 971328
1-(2,4-Dimethylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 2826692
N-(2-furylmethyl)-N-(4-methylbenzyl)-N'-(2-methylphenyl)thiourea
CID 4153840
1-Benzyl-1-[(5-methylfuran-2-yl)methyl]-3-(2-methylphenyl)thiourea
CID 4276668
1-[2-(Furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylthiourea
CID 4833332
N-[2-(dimethylamino)ethyl]-N'-(2-ethylphenyl)-N-[1-(2-furyl)ethyl]thiourea
CID 5077637
5-(Furan-2-ylmethyl)-1-(2-methylphenyl)-1,3,5-triazinane-2-thione
CID 751610

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
The IUPAC name of 3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea (CID 3681425) is 3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea.
What is the SMILES notation for 3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
The canonical SMILES for 3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea is CCc1cccc(C)c1NC(=S)N(CCOC)C(C)c1ccco1.
What is the InChIKey of 3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
The InChIKey is ZMBHSMIJKMIZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-5-16-9-6-8-14(2)18(16)20-19(24)21(11-13-22-4)15(3)17-10-7-12-23-17/h6-10,12,15H,5,11,13H2,1-4H3,(H,20,24).
What are the key properties of 3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea?
3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea has a molecular weight of 346.50 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-methylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(2-methoxyethyl)thiourea is sourced from PubChem (CID 3681425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).