1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea

C16H19ClN2O2S — CID 23607944

IUPAC1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NCCCSCc1ccco1
InChIInChI=1S/C16H19ClN2O2S/c1-12-14(17)6-2-7-15(12)19-16(20)18-8-4-10-22-11-13-5-3-9-21-13/h2-3,5-7,9H,4,8,10-11H2,1H3,(H2,18,19,20)
InChIKeyYVRMLZLHKHLADG-UHFFFAOYSA-N
MW338.86 g/mol
LogP4.69
Rot. Bonds7

About 1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea

1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea (PubChem CID 23607944) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
PubChem CID23607944
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NCCCSCc1ccco1
InChIInChI=1S/C16H19ClN2O2S/c1-12-14(17)6-2-7-15(12)19-16(20)18-8-4-10-22-11-13-5-3-9-21-13/h2-3,5-7,9H,4,8,10-11H2,1H3,(H2,18,19,20)
InChIKeyYVRMLZLHKHLADG-UHFFFAOYSA-N
XLogP4.69
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]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-(2,3-dimethylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607945
1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607924
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 5146775
1-(4-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607946
N-(3-amino-2-methylphenyl)-4-(furan-2-ylmethylsulfanyl)butanamide
CID 28979227
N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide
CID 110690693
1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 17409766
1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 108891823
1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020567
1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 74225838
1-(3-chloro-2-methylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 2826690
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea (CID 23607944) is 1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea is Cc1c(Cl)cccc1NC(=O)NCCCSCc1ccco1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea?
The InChIKey is YVRMLZLHKHLADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-12-14(17)6-2-7-15(12)19-16(20)18-8-4-10-22-11-13-5-3-9-21-13/h2-3,5-7,9H,4,8,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea?
1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea has a molecular weight of 338.86 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea is sourced from PubChem (CID 23607944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).