N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide

C19H22N2O2S — CID 977219

IUPACN-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CSc2ccccc2)c1
InChIInChI=1S/C19H22N2O2S/c1-19(2,3)21-18(23)14-8-7-9-15(12-14)20-17(22)13-24-16-10-5-4-6-11-16/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyJYFGAZLBALJLRA-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.95
Rot. Bonds5

About N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide

N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide (PubChem CID 977219) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
PubChem CID977219
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CSc2ccccc2)c1
InChIInChI=1S/C19H22N2O2S/c1-19(2,3)21-18(23)14-8-7-9-15(12-14)20-17(22)13-24-16-10-5-4-6-11-16/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyJYFGAZLBALJLRA-UHFFFAOYSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide?
The IUPAC name of N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide (CID 977219) is N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)CSc2ccccc2)c1.
What is the InChIKey of N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide?
The InChIKey is JYFGAZLBALJLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-19(2,3)21-18(23)14-8-7-9-15(12-14)20-17(22)13-24-16-10-5-4-6-11-16/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide?
N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide has a molecular weight of 342.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 977219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).