1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea

C13H11Cl2N3O3S — CID 2210531

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H11Cl2N3O3S/c1-21-9-3-2-7(14)6-8(9)16-13(20)18-17-12(19)10-4-5-11(15)22-10/h2-6H,1H3,(H,17,19)(H2,16,18,20)
InChIKeyXFTMGHRJFWBTKZ-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.53
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea

1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea (PubChem CID 2210531) has the molecular formula C13H11Cl2N3O3S and a molecular weight of 360.22 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea
PubChem CID2210531
Molecular FormulaC13H11Cl2N3O3S
Molecular Weight360.22 g/mol
Exact Mass358.99
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H11Cl2N3O3S/c1-21-9-3-2-7(14)6-8(9)16-13(20)18-17-12(19)10-4-5-11(15)22-10/h2-6H,1H3,(H,17,19)(H2,16,18,20)
InChIKeyXFTMGHRJFWBTKZ-UHFFFAOYSA-N
XLogP3.53
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea (CID 2210531) is 1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea is COc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea?
The InChIKey is XFTMGHRJFWBTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3S/c1-21-9-3-2-7(14)6-8(9)16-13(20)18-17-12(19)10-4-5-11(15)22-10/h2-6H,1H3,(H,17,19)(H2,16,18,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea?
1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea has a molecular weight of 360.22 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[(5-chlorothiophene-2-carbonyl)amino]urea is sourced from PubChem (CID 2210531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).