1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea

C22H24N2O2S — CID 5216398

IUPAC1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea
SMILESCOc1ccc(C)cc1NC(=S)N(Cc1cccc(C)c1)Cc1ccco1
InChIInChI=1S/C22H24N2O2S/c1-16-6-4-7-18(12-16)14-24(15-19-8-5-11-26-19)22(27)23-20-13-17(2)9-10-21(20)25-3/h4-13H,14-15H2,1-3H3,(H,23,27)
InChIKeyOCIMXMGVWMFOAP-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.30
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea

1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea (PubChem CID 5216398) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea
PubChem CID5216398
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea
SMILESCOc1ccc(C)cc1NC(=S)N(Cc1cccc(C)c1)Cc1ccco1
InChIInChI=1S/C22H24N2O2S/c1-16-6-4-7-18(12-16)14-24(15-19-8-5-11-26-19)22(27)23-20-13-17(2)9-10-21(20)25-3/h4-13H,14-15H2,1-3H3,(H,23,27)
InChIKeyOCIMXMGVWMFOAP-UHFFFAOYSA-N
XLogP5.30
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
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

1-[(4-ethylphenyl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 5099180
3-(2-chloro-4-methylphenyl)-1-(furan-2-ylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 17369593
1-[(3,4-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-3-(4-methylphenyl)thiourea
CID 17376956
1-[(3,4-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-3-(3-methoxyphenyl)thiourea
CID 5161475
3-(2,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]thiourea
CID 8679459
3-(2-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-[(4-methylphenyl)methyl]thiourea
CID 5170461
3-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)thiourea
CID 1280841
ethyl 3-[(2,5-dimethoxyphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate
CID 3862055
N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110690707
1-[(4-tert-butylphenyl)methyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4519202
1-[(2,5-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)-1-(furan-2-ylmethyl)thiourea
CID 4299821

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea (CID 5216398) is 1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea is COc1ccc(C)cc1NC(=S)N(Cc1cccc(C)c1)Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea?
The InChIKey is OCIMXMGVWMFOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-16-6-4-7-18(12-16)14-24(15-19-8-5-11-26-19)22(27)23-20-13-17(2)9-10-21(20)25-3/h4-13H,14-15H2,1-3H3,(H,23,27).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea?
1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea has a molecular weight of 380.51 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 1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)-1-[(3-methylphenyl)methyl]thiourea is sourced from PubChem (CID 5216398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).