3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea

C19H24N2OS — CID 9217139

IUPAC3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea
SMILESCCCN(Cc1ccc(C)cc1)C(=S)Nc1ccc(OC)cc1
InChIInChI=1S/C19H24N2OS/c1-4-13-21(14-16-7-5-15(2)6-8-16)19(23)20-17-9-11-18(22-3)12-10-17/h5-12H,4,13-14H2,1-3H3,(H,20,23)
InChIKeyIJGCNGWGSXWZAE-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.61
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea

3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea (PubChem CID 9217139) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea
PubChem CID9217139
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea
SMILESCCCN(Cc1ccc(C)cc1)C(=S)Nc1ccc(OC)cc1
InChIInChI=1S/C19H24N2OS/c1-4-13-21(14-16-7-5-15(2)6-8-16)19(23)20-17-9-11-18(22-3)12-10-17/h5-12H,4,13-14H2,1-3H3,(H,20,23)
InChIKeyIJGCNGWGSXWZAE-UHFFFAOYSA-N
XLogP4.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]thiourea
CID 4983571
1-[[4-(diethylamino)phenyl]methyl]-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]thiourea
CID 4169463
3-(4-chlorophenyl)-1,1-bis[(4-methoxyphenyl)methyl]thiourea
CID 4161356
1-[(3,4-diethoxyphenyl)methyl]-3-(4-methylphenyl)-1-propylthiourea
CID 8684422
3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 5201041
1-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]thiourea
CID 4687198
3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(4-propan-2-ylphenyl)methyl]thiourea
CID 4173822
1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)thiourea
CID 3173903
3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1140960
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 113163104
1-[(2,4-dichlorophenyl)methyl]-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]thiourea
CID 4104242
3-(4-ethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 3612435

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea?
The IUPAC name of 3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea (CID 9217139) is 3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea is CCCN(Cc1ccc(C)cc1)C(=S)Nc1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea?
The InChIKey is IJGCNGWGSXWZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-4-13-21(14-16-7-5-15(2)6-8-16)19(23)20-17-9-11-18(22-3)12-10-17/h5-12H,4,13-14H2,1-3H3,(H,20,23).
What are the key properties of 3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea?
3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea has a molecular weight of 328.48 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-propylthiourea is sourced from PubChem (CID 9217139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).