1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea

C14H20N2O2S — CID 75414342

IUPAC1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea
SMILESCNC(=S)Nc1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C14H20N2O2S/c1-15-14(19)16-10-7-8-12(17-2)13(9-10)18-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3,(H2,15,16,19)
InChIKeyNEVBUWHJJDWYMX-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.93
Rot. Bonds4

About 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea

1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea (PubChem CID 75414342) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea.

Molecular Properties

Compound Name1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea
PubChem CID75414342
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea
SMILESCNC(=S)Nc1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C14H20N2O2S/c1-15-14(19)16-10-7-8-12(17-2)13(9-10)18-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3,(H2,15,16,19)
InChIKeyNEVBUWHJJDWYMX-UHFFFAOYSA-N
XLogP2.93
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
N-(3-cyclopentyloxy-4-methoxyphenyl)furan-3-carboxamide
CID 31872175
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
N-(3-cyclopentyloxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 51094450
2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
CID 31870921
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide
CID 97063830
2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide
CID 31871992
N-[(3,4-dimethoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 54781579
N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]acetamide
CID 21472770
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide
CID 31871009
N-(3-cyclopentyloxy-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55591626
2-cyclopentyloxy-4-iodo-1-methoxybenzene
CID 11197924

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea?
The IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea (CID 75414342) is 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea.
What is the SMILES notation for 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea?
The canonical SMILES for 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea is CNC(=S)Nc1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea?
The InChIKey is NEVBUWHJJDWYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-15-14(19)16-10-7-8-12(17-2)13(9-10)18-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea?
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea has a molecular weight of 280.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea is sourced from PubChem (CID 75414342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).