1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea

C16H22Cl2N2OS — CID 100744347

IUPAC1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea
SMILESO=C(NCCSCc1ccc(Cl)cc1Cl)NC1CCCCC1
InChIInChI=1S/C16H22Cl2N2OS/c17-13-7-6-12(15(18)10-13)11-22-9-8-19-16(21)20-14-4-2-1-3-5-14/h6-7,10,14H,1-5,8-9,11H2,(H2,19,20,21)
InChIKeyFDYCTPOZFSTMRG-UHFFFAOYSA-N
MW361.34 g/mol
LogP4.86
Rot. Bonds6

About 1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea

1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea (PubChem CID 100744347) has the molecular formula C16H22Cl2N2OS and a molecular weight of 361.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea
PubChem CID100744347
Molecular FormulaC16H22Cl2N2OS
Molecular Weight361.34 g/mol
Exact Mass360.08
IUPAC Name1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea
SMILESO=C(NCCSCc1ccc(Cl)cc1Cl)NC1CCCCC1
InChIInChI=1S/C16H22Cl2N2OS/c17-13-7-6-12(15(18)10-13)11-22-9-8-19-16(21)20-14-4-2-1-3-5-14/h6-7,10,14H,1-5,8-9,11H2,(H2,19,20,21)
InChIKeyFDYCTPOZFSTMRG-UHFFFAOYSA-N
XLogP4.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea 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-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-cyclohexylurea
CID 100744275
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
CID 100621291
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 91647284
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122009024
2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 2290637
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide
CID 100554672
2-(cyclohexylcarbamoylamino)-N-(2,4-dichlorophenyl)acetamide
CID 113001281
1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea
CID 70796637
(3S)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 125042724
N-cyclohexyl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132620768
2-(cyclopropylcarbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 112995921
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2,5-dichlorophenyl)acetamide
CID 113063693

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea (CID 100744347) is 1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea is O=C(NCCSCc1ccc(Cl)cc1Cl)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea?
The InChIKey is FDYCTPOZFSTMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2OS/c17-13-7-6-12(15(18)10-13)11-22-9-8-19-16(21)20-14-4-2-1-3-5-14/h6-7,10,14H,1-5,8-9,11H2,(H2,19,20,21).
What are the key properties of 1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea?
1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea has a molecular weight of 361.34 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea is sourced from PubChem (CID 100744347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).