5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide

C17H19ClN2OS — CID 18712089

IUPAC5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide
SMILESCCNC(=O)c1cc(Cl)ccc1NCc1ccc(SC)cc1
InChIInChI=1S/C17H19ClN2OS/c1-3-19-17(21)15-10-13(18)6-9-16(15)20-11-12-4-7-14(22-2)8-5-12/h4-10,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyWYPLNBYFGVTVBB-UHFFFAOYSA-N
MW334.87 g/mol
LogP4.42
Rot. Bonds6

About 5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide

5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide (PubChem CID 18712089) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide
PubChem CID18712089
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide
SMILESCCNC(=O)c1cc(Cl)ccc1NCc1ccc(SC)cc1
InChIInChI=1S/C17H19ClN2OS/c1-3-19-17(21)15-10-13(18)6-9-16(15)20-11-12-4-7-14(22-2)8-5-12/h4-10,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyWYPLNBYFGVTVBB-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide?
The IUPAC name of 5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide (CID 18712089) is 5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide.
What is the SMILES notation for 5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide?
The canonical SMILES for 5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide is CCNC(=O)c1cc(Cl)ccc1NCc1ccc(SC)cc1.
What is the InChIKey of 5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide?
The InChIKey is WYPLNBYFGVTVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-3-19-17(21)15-10-13(18)6-9-16(15)20-11-12-4-7-14(22-2)8-5-12/h4-10,20H,3,11H2,1-2H3,(H,19,21).
What are the key properties of 5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide?
5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide has a molecular weight of 334.87 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide is sourced from PubChem (CID 18712089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).