oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium

C15H14NO2S+ — CID 174297215

IUPACoxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium
SMILESCC([S+]=O)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H13NO2S/c1-11(19-18)13-9-5-6-10-14(13)15(17)16-12-7-3-2-4-8-12/h2-11H,1H3/p+1
InChIKeyDVUQCIFGSSBHMY-UHFFFAOYSA-O
MW272.35 g/mol
LogP3.43
Rot. Bonds4

About oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium

oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium (PubChem CID 174297215) has the molecular formula C15H14NO2S+ and a molecular weight of 272.35 g/mol. Its IUPAC name is oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium.

Molecular Properties

Compound Nameoxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium
PubChem CID174297215
Molecular FormulaC15H14NO2S+
Molecular Weight272.35 g/mol
Exact Mass272.07
IUPAC Nameoxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium
SMILESCC([S+]=O)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H13NO2S/c1-11(19-18)13-9-5-6-10-14(13)15(17)16-12-7-3-2-4-8-12/h2-11H,1H3/p+1
InChIKeyDVUQCIFGSSBHMY-UHFFFAOYSA-O
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium 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

trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium
CID 102451163
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
2-hydroxy-N-phenylbenzamide
CID 157209959
N-phenyl-2-(6-phenylhexan-2-yl)benzamide
CID 177445932
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
2-(phenylcarbamoyl)benzenecarbothioic S-acid
CID 118007964
2,3-dichloro-N-phenylbenzamide
CID 7732866
CID 164666940
CID 164666940
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-hydrazinyl-N-phenylbenzamide
CID 12569370
N-phenyl-2-[2-(phenylcarbamoyl)phenyl]selanyloxyselanylbenzamide
CID 139266638
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033

Frequently Asked Questions

What is the IUPAC name of oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium?
The IUPAC name of oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium (CID 174297215) is oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium.
What is the SMILES notation for oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium?
The canonical SMILES for oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium is CC([S+]=O)c1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium?
The InChIKey is DVUQCIFGSSBHMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H13NO2S/c1-11(19-18)13-9-5-6-10-14(13)15(17)16-12-7-3-2-4-8-12/h2-11H,1H3/p+1.
What are the key properties of oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium?
oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium has a molecular weight of 272.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium is sourced from PubChem (CID 174297215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).