1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea

C17H11Cl3N2OS — CID 155436502

IUPAC1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C17H11Cl3N2OS/c18-11-1-3-14(4-2-11)21-17(23)22-16-6-5-15(24-16)10-7-12(19)9-13(20)8-10/h1-9H,(H2,21,22,23)
InChIKeyXFOCMFZFOPJMOP-UHFFFAOYSA-N
MW397.71 g/mol
LogP7.02
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea

1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea (PubChem CID 155436502) has the molecular formula C17H11Cl3N2OS and a molecular weight of 397.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea
PubChem CID155436502
Molecular FormulaC17H11Cl3N2OS
Molecular Weight397.71 g/mol
Exact Mass395.97
IUPAC Name1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C17H11Cl3N2OS/c18-11-1-3-14(4-2-11)21-17(23)22-16-6-5-15(24-16)10-7-12(19)9-13(20)8-10/h1-9H,(H2,21,22,23)
InChIKeyXFOCMFZFOPJMOP-UHFFFAOYSA-N
XLogP7.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.71
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chloro-4-methylphenyl)-3-thiophen-2-ylurea
CID 9550582
1-(4-Chlorophenyl)-3-(5-phenylthiophen-2-yl)urea
CID 123128346
1-(4-Chlorophenyl)-3-(3-thiophen-3-ylphenyl)urea
CID 135376124
1-(4-Chlorophenyl)-3-[3-(5-methylthiophen-3-yl)phenyl]urea
CID 135376391
1-(4-Chlorophenyl)-3-[3-(5-methylthiophen-2-yl)phenyl]urea
CID 135376632
1-(4-Chlorophenyl)-3-[5-(3-fluorophenyl)thiophen-2-yl]urea
CID 155436492
1-(4-Chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea
CID 155436493
1-(4-Chlorophenyl)-3-[5-(3,4-dichlorophenyl)thiophen-2-yl]urea
CID 155436506
1-(4-Chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea
CID 155436516
1-(4-Chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea
CID 155436589
1-(4-Chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea
CID 155436641
1-(4-Chlorophenyl)-3-[5-(4-fluorophenyl)thiophen-2-yl]urea
CID 155436644

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea (CID 155436502) is 1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea?
The InChIKey is XFOCMFZFOPJMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2OS/c18-11-1-3-14(4-2-11)21-17(23)22-16-6-5-15(24-16)10-7-12(19)9-13(20)8-10/h1-9H,(H2,21,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea?
1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea has a molecular weight of 397.71 g/mol, XLogP of 7.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea is sourced from PubChem (CID 155436502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).