1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea

C24H26N2OS — CID 43077075

IUPAC1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
SMILESCc1cc(C)cc(NC(=S)NCc2ccc(COCc3ccccc3)cc2)c1
InChIInChI=1S/C24H26N2OS/c1-18-12-19(2)14-23(13-18)26-24(28)25-15-20-8-10-22(11-9-20)17-27-16-21-6-4-3-5-7-21/h3-14H,15-17H2,1-2H3,(H2,25,26,28)
InChIKeyMTGMWNONNYFNNQ-UHFFFAOYSA-N
MW390.55 g/mol
LogP5.51
Rot. Bonds7

About 1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea

1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea (PubChem CID 43077075) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
PubChem CID43077075
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC Name1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
SMILESCc1cc(C)cc(NC(=S)NCc2ccc(COCc3ccccc3)cc2)c1
InChIInChI=1S/C24H26N2OS/c1-18-12-19(2)14-23(13-18)26-24(28)25-15-20-8-10-22(11-9-20)17-27-16-21-6-4-3-5-7-21/h3-14H,15-17H2,1-2H3,(H2,25,26,28)
InChIKeyMTGMWNONNYFNNQ-UHFFFAOYSA-N
XLogP5.51
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077085
1-(4-ethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077073
1-(4-methoxyphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077091
1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077065
1-benzyl-3-[(4-methylphenyl)methyl]thiourea
CID 2441501
1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea
CID 168880124
1-(3,5-dimethylphenyl)-3-(phenylcarbamothioylamino)thiourea
CID 8001043
N-benzyl-N'-(3,5-dimethylphenyl)propanediamide
CID 50949014
1-[(4-bromophenyl)methyl]-3-phenylthiourea
CID 19057847
1-benzyl-3-(3,5-difluoro-4-hydroxyphenyl)thiourea
CID 87654545
1-(3,5-dimethylphenyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiourea
CID 8600037
1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 2444446

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea (CID 43077075) is 1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea is Cc1cc(C)cc(NC(=S)NCc2ccc(COCc3ccccc3)cc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea?
The InChIKey is MTGMWNONNYFNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2OS/c1-18-12-19(2)14-23(13-18)26-24(28)25-15-20-8-10-22(11-9-20)17-27-16-21-6-4-3-5-7-21/h3-14H,15-17H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea?
1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea has a molecular weight of 390.55 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea is sourced from PubChem (CID 43077075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).