phenyl-(2-phenylsulfanylphenyl)carbamic acid

C19H15NO2S — CID 69355896

IUPACphenyl-(2-phenylsulfanylphenyl)carbamic acid
SMILESO=C(O)N(c1ccccc1)c1ccccc1Sc1ccccc1
InChIInChI=1S/C19H15NO2S/c21-19(22)20(15-9-3-1-4-10-15)17-13-7-8-14-18(17)23-16-11-5-2-6-12-16/h1-14H,(H,21,22)
InChIKeySHURHMLNAHCUBT-UHFFFAOYSA-N
MW321.40 g/mol
LogP5.65
Rot. Bonds4

About phenyl-(2-phenylsulfanylphenyl)carbamic acid

phenyl-(2-phenylsulfanylphenyl)carbamic acid (PubChem CID 69355896) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is phenyl-(2-phenylsulfanylphenyl)carbamic acid.

Molecular Properties

Compound Namephenyl-(2-phenylsulfanylphenyl)carbamic acid
PubChem CID69355896
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Namephenyl-(2-phenylsulfanylphenyl)carbamic acid
SMILESO=C(O)N(c1ccccc1)c1ccccc1Sc1ccccc1
InChIInChI=1S/C19H15NO2S/c21-19(22)20(15-9-3-1-4-10-15)17-13-7-8-14-18(17)23-16-11-5-2-6-12-16/h1-14H,(H,21,22)
InChIKeySHURHMLNAHCUBT-UHFFFAOYSA-N
XLogP5.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze phenyl-(2-phenylsulfanylphenyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cobalt;bis(diphenylcarbamic acid)
CID 155679078
phenyl N-amino-N-(2-phenylsulfanylphenyl)carbamate
CID 89336730
(2S)-2-(N-ethyl-2-phenylsulfanylanilino)butanoic acid
CID 100522173
phenyl-[2-(trifluoromethyl)phenyl]carbamic acid
CID 66619011
N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline
CID 175066969
N,N-dimethyl-2-phenylsulfanylbenzamide
CID 21402688
phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid
CID 118571309
phenylsulfanylbenzene;urea
CID 161199097
N-methyl-N-phenyl-2-(2-phenylsulfanylanilino)acetamide
CID 24583235
(4-chlorophenyl)-(2-methylphenyl)carbamic acid
CID 57361807
(2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid
CID 57350248
3-(2-phenylsulfanylphenyl)propanoic acid
CID 12551986

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-phenylsulfanylphenyl)carbamic acid?
The IUPAC name of phenyl-(2-phenylsulfanylphenyl)carbamic acid (CID 69355896) is phenyl-(2-phenylsulfanylphenyl)carbamic acid.
What is the SMILES notation for phenyl-(2-phenylsulfanylphenyl)carbamic acid?
The canonical SMILES for phenyl-(2-phenylsulfanylphenyl)carbamic acid is O=C(O)N(c1ccccc1)c1ccccc1Sc1ccccc1.
What is the InChIKey of phenyl-(2-phenylsulfanylphenyl)carbamic acid?
The InChIKey is SHURHMLNAHCUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S/c21-19(22)20(15-9-3-1-4-10-15)17-13-7-8-14-18(17)23-16-11-5-2-6-12-16/h1-14H,(H,21,22).
What are the key properties of phenyl-(2-phenylsulfanylphenyl)carbamic acid?
phenyl-(2-phenylsulfanylphenyl)carbamic acid has a molecular weight of 321.40 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenylsulfanylphenyl)carbamic acid is sourced from PubChem (CID 69355896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).