1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea

C15H16ClN3OS — CID 60603062

IUPAC1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea
SMILESCCSc1ccc(NC(=O)NCc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H16ClN3OS/c1-2-21-14-7-6-13(10-17-14)19-15(20)18-9-11-4-3-5-12(16)8-11/h3-8,10H,2,9H2,1H3,(H2,18,19,20)
InChIKeyCPICFHGNRNKPCO-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.17
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea

1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea (PubChem CID 60603062) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea
PubChem CID60603062
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea
SMILESCCSc1ccc(NC(=O)NCc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H16ClN3OS/c1-2-21-14-7-6-13(10-17-14)19-15(20)18-9-11-4-3-5-12(16)8-11/h3-8,10H,2,9H2,1H3,(H2,18,19,20)
InChIKeyCPICFHGNRNKPCO-UHFFFAOYSA-N
XLogP4.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
1-[(3-chlorophenyl)methyl]-3-(4-nitrophenyl)urea
CID 78786561
1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
CID 108898743
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995
1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 19326785
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438
1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 110307002
1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea
CID 110618975
5-[2-(3-chlorophenyl)ethyl]-2-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxamide
CID 173062481

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea (CID 60603062) is 1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea is CCSc1ccc(NC(=O)NCc2cccc(Cl)c2)cn1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea?
The InChIKey is CPICFHGNRNKPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-2-21-14-7-6-13(10-17-14)19-15(20)18-9-11-4-3-5-12(16)8-11/h3-8,10H,2,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea?
1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea has a molecular weight of 321.83 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea is sourced from PubChem (CID 60603062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).