1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea

C15H15ClN2O3S — CID 10830894

IUPAC1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N=S(=O)(Cl)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15ClN2O3S/c1-11-3-9-14(10-4-11)22(16,20)18-15(19)17-12-5-7-13(21-2)8-6-12/h3-10H,1-2H3,(H,17,19)
InChIKeyQSTWMRIWLQCPRT-UHFFFAOYSA-N
MW338.82 g/mol
LogP4.22
Rot. Bonds3

About 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea

1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea (PubChem CID 10830894) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea
PubChem CID10830894
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N=S(=O)(Cl)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H15ClN2O3S/c1-11-3-9-14(10-4-11)22(16,20)18-15(19)17-12-5-7-13(21-2)8-6-12/h3-10H,1-2H3,(H,17,19)
InChIKeyQSTWMRIWLQCPRT-UHFFFAOYSA-N
XLogP4.22
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10688715
1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 2819847
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
CID 41273873
1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 118386826
1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
CID 102245871
1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea
CID 10761364
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate
CID 56840073
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
[4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate
CID 5112420

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea (CID 10830894) is 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)N=S(=O)(Cl)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea?
The InChIKey is QSTWMRIWLQCPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-11-3-9-14(10-4-11)22(16,20)18-15(19)17-12-5-7-13(21-2)8-6-12/h3-10H,1-2H3,(H,17,19).
What are the key properties of 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea?
1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea has a molecular weight of 338.82 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 10830894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).