1-(3-methoxyphenyl)-3-nonylthiourea

C17H28N2OS — CID 19651092

IUPAC1-(3-methoxyphenyl)-3-nonylthiourea
SMILESCCCCCCCCCNC(=S)Nc1cccc(OC)c1
InChIInChI=1S/C17H28N2OS/c1-3-4-5-6-7-8-9-13-18-17(21)19-15-11-10-12-16(14-15)20-2/h10-12,14H,3-9,13H2,1-2H3,(H2,18,19,21)
InChIKeyMXFJNNCULOGTGW-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.73
Rot. Bonds10

About 1-(3-methoxyphenyl)-3-nonylthiourea

1-(3-methoxyphenyl)-3-nonylthiourea (PubChem CID 19651092) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-nonylthiourea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-nonylthiourea
PubChem CID19651092
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name1-(3-methoxyphenyl)-3-nonylthiourea
SMILESCCCCCCCCCNC(=S)Nc1cccc(OC)c1
InChIInChI=1S/C17H28N2OS/c1-3-4-5-6-7-8-9-13-18-17(21)19-15-11-10-12-16(14-15)20-2/h10-12,14H,3-9,13H2,1-2H3,(H2,18,19,21)
InChIKeyMXFJNNCULOGTGW-UHFFFAOYSA-N
XLogP4.73
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methoxyphenyl)-3-nonylthiourea 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-(3-methoxyphenyl)-3-pentylthiourea
CID 8619704
1-dodecyl-3-(4-methoxyphenyl)thiourea
CID 19651361
1-(3-methylphenyl)-3-nonylthiourea
CID 19651083
1-(3-bromophenyl)-3-hexylthiourea
CID 9234398
1-(3-ethoxyphenyl)-3-[3-(3-methoxyphenyl)propyl]thiourea
CID 100676423
1-(3,4-dimethoxyphenyl)-3-octylthiourea
CID 19651030
N-hexyl-3-methoxyaniline
CID 15500485
1-(3-acetylphenyl)-3-heptylthiourea
CID 19650862
1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea
CID 92541834
1-[3-(2-chlorophenyl)propyl]-3-(3-methoxyphenyl)thiourea
CID 100671376
1-(2,4-dimethoxyphenyl)-3-undecylthiourea
CID 19651293
1-(2,4-dimethoxyphenyl)-3-octylthiourea
CID 4299563

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-nonylthiourea?
The IUPAC name of 1-(3-methoxyphenyl)-3-nonylthiourea (CID 19651092) is 1-(3-methoxyphenyl)-3-nonylthiourea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-nonylthiourea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-nonylthiourea is CCCCCCCCCNC(=S)Nc1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-nonylthiourea?
The InChIKey is MXFJNNCULOGTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-3-4-5-6-7-8-9-13-18-17(21)19-15-11-10-12-16(14-15)20-2/h10-12,14H,3-9,13H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(3-methoxyphenyl)-3-nonylthiourea?
1-(3-methoxyphenyl)-3-nonylthiourea has a molecular weight of 308.49 g/mol, XLogP of 4.73, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-nonylthiourea is sourced from PubChem (CID 19651092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).