1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea

C20H32N2O2S — CID 5180319

IUPAC1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea
SMILESCCCCCNC(=S)N(Cc1ccc(OC)cc1OC)C1CCCC1
InChIInChI=1S/C20H32N2O2S/c1-4-5-8-13-21-20(25)22(17-9-6-7-10-17)15-16-11-12-18(23-2)14-19(16)24-3/h11-12,14,17H,4-10,13,15H2,1-3H3,(H,21,25)
InChIKeySPZVPFDWOMQAJL-UHFFFAOYSA-N
MW364.56 g/mol
LogP4.51
Rot. Bonds9

About 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea

1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea (PubChem CID 5180319) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea.

Molecular Properties

Compound Name1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea
PubChem CID5180319
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC Name1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea
SMILESCCCCCNC(=S)N(Cc1ccc(OC)cc1OC)C1CCCC1
InChIInChI=1S/C20H32N2O2S/c1-4-5-8-13-21-20(25)22(17-9-6-7-10-17)15-16-11-12-18(23-2)14-19(16)24-3/h11-12,14,17H,4-10,13,15H2,1-3H3,(H,21,25)
InChIKeySPZVPFDWOMQAJL-UHFFFAOYSA-N
XLogP4.51
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-octylthiourea
CID 3256381
1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea
CID 7944898
3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea
CID 4276870
1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 74231555
1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(3-methylsulfanylpropyl)thiourea
CID 7944903
1-(2,4-dimethoxyphenyl)-3-undecylthiourea
CID 19651293
1-(2,4-dimethoxyphenyl)-3-octylthiourea
CID 4299563
1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8786326
3-(3-butoxypropyl)-1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111296357
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370
2-[(2,4-dimethoxyphenyl)methyl]-1-hexylguanidine
CID 111044198

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea?
The IUPAC name of 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea (CID 5180319) is 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea.
What is the SMILES notation for 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea?
The canonical SMILES for 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea is CCCCCNC(=S)N(Cc1ccc(OC)cc1OC)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea?
The InChIKey is SPZVPFDWOMQAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-4-5-8-13-21-20(25)22(17-9-6-7-10-17)15-16-11-12-18(23-2)14-19(16)24-3/h11-12,14,17H,4-10,13,15H2,1-3H3,(H,21,25).
What are the key properties of 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea?
1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea has a molecular weight of 364.56 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea is sourced from PubChem (CID 5180319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).