N-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide

C19H21ClN2O2S — CID 2192292

IUPACN-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2O2S/c1-19(2,3)22-18(24)13-5-4-6-15(11-13)21-17(23)12-25-16-9-7-14(20)8-10-16/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVALZAXZAAONWHG-UHFFFAOYSA-N
MW376.91 g/mol
LogP4.60
Rot. Bonds5

About N-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide

N-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide (PubChem CID 2192292) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide
PubChem CID2192292
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC NameN-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2O2S/c1-19(2,3)22-18(24)13-5-4-6-15(11-13)21-17(23)12-25-16-9-7-14(20)8-10-16/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVALZAXZAAONWHG-UHFFFAOYSA-N
XLogP4.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.60
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-(4-chlorophenyl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide (CID 2192292) is N-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1.
What is the InChIKey of N-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide?
The InChIKey is VALZAXZAAONWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-19(2,3)22-18(24)13-5-4-6-15(11-13)21-17(23)12-25-16-9-7-14(20)8-10-16/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide?
N-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide has a molecular weight of 376.91 g/mol, XLogP of 4.60, 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-(4-chlorophenyl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 2192292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).