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

C19H24N2O2S — CID 47510880

IUPAC3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea
SMILESCCc1ccc(NC(=S)N(Cc2ccco2)CC2CCCO2)cc1
InChIInChI=1S/C19H24N2O2S/c1-2-15-7-9-16(10-8-15)20-19(24)21(13-17-5-3-11-22-17)14-18-6-4-12-23-18/h3,5,7-11,18H,2,4,6,12-14H2,1H3,(H,20,24)
InChIKeyFTDUSFRVKSEOKJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.22
Rot. Bonds6

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

3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea (PubChem CID 47510880) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea
PubChem CID47510880
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea
SMILESCCc1ccc(NC(=S)N(Cc2ccco2)CC2CCCO2)cc1
InChIInChI=1S/C19H24N2O2S/c1-2-15-7-9-16(10-8-15)20-19(24)21(13-17-5-3-11-22-17)14-18-6-4-12-23-18/h3,5,7-11,18H,2,4,6,12-14H2,1H3,(H,20,24)
InChIKeyFTDUSFRVKSEOKJ-UHFFFAOYSA-N
XLogP4.22
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.22
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-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea
CID 47510893
3-(3-chloro-4-methylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea
CID 47510909
3-(2,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea
CID 47510906
3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 40596895
1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)thiourea
CID 47510896
3-(4-bromophenyl)-1-[(4-ethylphenyl)methyl]-1-(furan-2-ylmethyl)thiourea
CID 4592206
1-ethyl-1-(oxolan-2-ylmethyl)-3-phenylthiourea
CID 3350664
3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 7954747
1-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 40560236
3-(4-ethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 4189835
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 1169377
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea?
The IUPAC name of 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea (CID 47510880) is 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea.
What is the SMILES notation for 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea?
The canonical SMILES for 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea is CCc1ccc(NC(=S)N(Cc2ccco2)CC2CCCO2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea?
The InChIKey is FTDUSFRVKSEOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-15-7-9-16(10-8-15)20-19(24)21(13-17-5-3-11-22-17)14-18-6-4-12-23-18/h3,5,7-11,18H,2,4,6,12-14H2,1H3,(H,20,24).
What are the key properties of 3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea?
3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea has a molecular weight of 344.48 g/mol, XLogP of 4.22, 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-(oxolan-2-ylmethyl)thiourea is sourced from PubChem (CID 47510880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).