1-(4-chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea

C15H16ClN3O2S — CID 10640711

IUPAC1-(4-chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea
SMILESCNS(=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C15H16ClN3O2S/c1-11-3-9-14(10-4-11)22(21,17-2)19-15(20)18-13-7-5-12(16)6-8-13/h3-10H,1-2H3,(H2,17,18,19,20,21)
InChIKeyOHAWOWDKOKNZTD-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.84
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea

1-(4-chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea (PubChem CID 10640711) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea
PubChem CID10640711
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name1-(4-chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea
SMILESCNS(=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C15H16ClN3O2S/c1-11-3-9-14(10-4-11)22(21,17-2)19-15(20)18-13-7-5-12(16)6-8-13/h3-10H,1-2H3,(H2,17,18,19,20,21)
InChIKeyOHAWOWDKOKNZTD-UHFFFAOYSA-N
XLogP3.84
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea (CID 10640711) is 1-(4-chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea is CNS(=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea?
The InChIKey is OHAWOWDKOKNZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-11-3-9-14(10-4-11)22(21,17-2)19-15(20)18-13-7-5-12(16)6-8-13/h3-10H,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea?
1-(4-chlorophenyl)-3-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea has a molecular weight of 337.83 g/mol, XLogP of 3.84, 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-[methylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]urea is sourced from PubChem (CID 10640711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).