[2-(2-cyanophenyl)sulfanylphenyl]urea

C14H11N3OS — CID 18663341

IUPAC[2-(2-cyanophenyl)sulfanylphenyl]urea
SMILESN#Cc1ccccc1Sc1ccccc1NC(N)=O
InChIInChI=1S/C14H11N3OS/c15-9-10-5-1-3-7-12(10)19-13-8-4-2-6-11(13)17-14(16)18/h1-8H,(H3,16,17,18)
InChIKeyWMAUQJPUBXPERT-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.20
Rot. Bonds3

About [2-(2-cyanophenyl)sulfanylphenyl]urea

[2-(2-cyanophenyl)sulfanylphenyl]urea (PubChem CID 18663341) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is [2-(2-cyanophenyl)sulfanylphenyl]urea.

Molecular Properties

Compound Name[2-(2-cyanophenyl)sulfanylphenyl]urea
PubChem CID18663341
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name[2-(2-cyanophenyl)sulfanylphenyl]urea
SMILESN#Cc1ccccc1Sc1ccccc1NC(N)=O
InChIInChI=1S/C14H11N3OS/c15-9-10-5-1-3-7-12(10)19-13-8-4-2-6-11(13)17-14(16)18/h1-8H,(H3,16,17,18)
InChIKeyWMAUQJPUBXPERT-UHFFFAOYSA-N
XLogP3.20
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyanophenyl)urea
CID 13155570
N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 34111218
2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
CID 1471282
[2-(2-methylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 4858745
2-(2-chlorophenyl)sulfanylbenzonitrile
CID 15643699
2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide
CID 43008037
2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
CID 17139487
benzyl 2-(2-cyanophenyl)sulfanylbenzoate
CID 2377363
2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55382568
N-carbamoyl-2-(2-cyanoanilino)propanamide
CID 43086096
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2-cyanophenyl)sulfanyl-N-methylbenzamide
CID 24980334
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyanophenyl)sulfanylphenyl]urea?
The IUPAC name of [2-(2-cyanophenyl)sulfanylphenyl]urea (CID 18663341) is [2-(2-cyanophenyl)sulfanylphenyl]urea.
What is the SMILES notation for [2-(2-cyanophenyl)sulfanylphenyl]urea?
The canonical SMILES for [2-(2-cyanophenyl)sulfanylphenyl]urea is N#Cc1ccccc1Sc1ccccc1NC(N)=O.
What is the InChIKey of [2-(2-cyanophenyl)sulfanylphenyl]urea?
The InChIKey is WMAUQJPUBXPERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-9-10-5-1-3-7-12(10)19-13-8-4-2-6-11(13)17-14(16)18/h1-8H,(H3,16,17,18).
What are the key properties of [2-(2-cyanophenyl)sulfanylphenyl]urea?
[2-(2-cyanophenyl)sulfanylphenyl]urea has a molecular weight of 269.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyanophenyl)sulfanylphenyl]urea is sourced from PubChem (CID 18663341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).