phenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate

C19H16N2O2S — CID 89336730

IUPACphenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate
SMILESNN(C(=O)Oc1ccccc1)c1ccccc1Sc1ccccc1
InChIInChI=1S/C19H16N2O2S/c20-21(19(22)23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)24-16-11-5-2-6-12-16/h1-14H,20H2
InChIKeyRBIBQDJUWAXRIZ-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.72
Rot. Bonds4

About phenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate

phenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate (PubChem CID 89336730) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is phenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate.

Molecular Properties

Compound Namephenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate
PubChem CID89336730
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Namephenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate
SMILESNN(C(=O)Oc1ccccc1)c1ccccc1Sc1ccccc1
InChIInChI=1S/C19H16N2O2S/c20-21(19(22)23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)24-16-11-5-2-6-12-16/h1-14H,20H2
InChIKeyRBIBQDJUWAXRIZ-UHFFFAOYSA-N
XLogP4.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl-(2-phenylsulfanylphenyl)carbamic acid
CID 69355896
(2S)-2-(N-ethyl-2-phenylsulfanylanilino)butanoic acid
CID 100522173
phenyl 2-fluoro-2-phenylsulfanylacetate
CID 15882411
phenylsulfanylbenzene;urea
CID 161199097
(3-phenylsulfanylphenyl) phosphanylformate
CID 20789561
phenyl N-carbamoyl-N-(2,2,2-trichloroacetyl)carbamate
CID 57060406
(2R,3S)-2,3-bis(phenoxycarbonyl)butanedioic acid
CID 1268149
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
2-phenylsulfanylbenzoic acid;2-phenylsulfanylbenzoyl chloride
CID 161226077
2-amino-3-phenylsulfanylbenzoic acid
CID 115547407
N,N-dimethyl-2-phenylsulfanylbenzamide
CID 21402688

Frequently Asked Questions

What is the IUPAC name of phenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate?
The IUPAC name of phenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate (CID 89336730) is phenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate.
What is the SMILES notation for phenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate?
The canonical SMILES for phenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate is NN(C(=O)Oc1ccccc1)c1ccccc1Sc1ccccc1.
What is the InChIKey of phenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate?
The InChIKey is RBIBQDJUWAXRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c20-21(19(22)23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)24-16-11-5-2-6-12-16/h1-14H,20H2.
What are the key properties of phenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate?
phenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate has a molecular weight of 336.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate is sourced from PubChem (CID 89336730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).