1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea

C19H22F2N2OS — CID 2741951

IUPAC1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea
SMILESCc1cc(C)c(CSCCNC(=O)Nc2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C19H22F2N2OS/c1-12-8-13(2)16(14(3)9-12)11-25-7-6-22-19(24)23-18-5-4-15(20)10-17(18)21/h4-5,8-10H,6-7,11H2,1-3H3,(H2,22,23,24)
InChIKeyMAIFCMMKZIMUJN-UHFFFAOYSA-N
MW364.46 g/mol
LogP4.94
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea

1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea (PubChem CID 2741951) has the molecular formula C19H22F2N2OS and a molecular weight of 364.46 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea
PubChem CID2741951
Molecular FormulaC19H22F2N2OS
Molecular Weight364.46 g/mol
Exact Mass364.14
IUPAC Name1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea
SMILESCc1cc(C)c(CSCCNC(=O)Nc2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C19H22F2N2OS/c1-12-8-13(2)16(14(3)9-12)11-25-7-6-22-19(24)23-18-5-4-15(20)10-17(18)21/h4-5,8-10H,6-7,11H2,1-3H3,(H2,22,23,24)
InChIKeyMAIFCMMKZIMUJN-UHFFFAOYSA-N
XLogP4.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
CID 107302722
1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
CID 103918695
1-(2-cyanoethyl)-3-(2,4-difluorophenyl)urea
CID 60676650
1-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-(2,4-difluorophenyl)thiourea
CID 100588677
1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea
CID 61343254
N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide
CID 134017107
1-(3-cyanopropyl)-3-(2,4-difluorophenyl)urea
CID 62667576
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035743

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea (CID 2741951) is 1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea is Cc1cc(C)c(CSCCNC(=O)Nc2ccc(F)cc2F)c(C)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea?
The InChIKey is MAIFCMMKZIMUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2OS/c1-12-8-13(2)16(14(3)9-12)11-25-7-6-22-19(24)23-18-5-4-15(20)10-17(18)21/h4-5,8-10H,6-7,11H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea?
1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea has a molecular weight of 364.46 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea is sourced from PubChem (CID 2741951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).