2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide

C21H18N2O2S — CID 2904936

IUPAC2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O2S/c22-20(24)17-13-7-8-14-18(17)23-21(25)19(15-9-3-1-4-10-15)26-16-11-5-2-6-12-16/h1-14,19H,(H2,22,24)(H,23,25)
InChIKeyPNNYIJUYSDCVRR-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.26
Rot. Bonds6

About 2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide

2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide (PubChem CID 2904936) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound Name2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
PubChem CID2904936
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O2S/c22-20(24)17-13-7-8-14-18(17)23-21(25)19(15-9-3-1-4-10-15)26-16-11-5-2-6-12-16/h1-14,19H,(H2,22,24)(H,23,25)
InChIKeyPNNYIJUYSDCVRR-UHFFFAOYSA-N
XLogP4.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide?
The IUPAC name of 2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide (CID 2904936) is 2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for 2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide?
The canonical SMILES for 2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide is NC(=O)c1ccccc1NC(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide?
The InChIKey is PNNYIJUYSDCVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c22-20(24)17-13-7-8-14-18(17)23-21(25)19(15-9-3-1-4-10-15)26-16-11-5-2-6-12-16/h1-14,19H,(H2,22,24)(H,23,25).
What are the key properties of 2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide?
2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide has a molecular weight of 362.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 2904936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).