1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea

C15H17N3O3S — CID 91476086

IUPAC1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea
SMILESC=S(=O)(NC(=O)Nc1ccc(OC)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H17N3O3S/c1-21-13-7-5-12(6-8-13)17-15(19)18-22(2,20)14-9-3-11(16)4-10-14/h3-10H,2,16H2,1H3,(H2,17,18,19,20)
InChIKeyLGXYMMWDRGRXSD-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.09
Rot. Bonds4

About 1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea

1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea (PubChem CID 91476086) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea
PubChem CID91476086
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea
SMILESC=S(=O)(NC(=O)Nc1ccc(OC)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H17N3O3S/c1-21-13-7-5-12(6-8-13)17-15(19)18-22(2,20)14-9-3-11(16)4-10-14/h3-10H,2,16H2,1H3,(H2,17,18,19,20)
InChIKeyLGXYMMWDRGRXSD-UHFFFAOYSA-N
XLogP2.09
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(4-aminophenyl)sulfonyl-4-methoxybenzamide
CID 90673049
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
[4-[[4-(benzenesulfonyloxy)phenyl]carbamoylamino]phenyl] 4-methoxybenzenesulfonate
CID 142536745
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 43551408
(2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate
CID 7647483
1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea
CID 54774396
N-[4-[[(4-methoxybenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 3390773
N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide
CID 2204943
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea (CID 91476086) is 1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea is C=S(=O)(NC(=O)Nc1ccc(OC)cc1)c1ccc(N)cc1.
What is the InChIKey of 1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea?
The InChIKey is LGXYMMWDRGRXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-21-13-7-5-12(6-8-13)17-15(19)18-22(2,20)14-9-3-11(16)4-10-14/h3-10H,2,16H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea?
1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea has a molecular weight of 319.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 91476086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).