2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide

C23H28FN3O2S — CID 130470322

IUPAC2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CN)c1cccc(F)c1
InChIInChI=1S/C23H28FN3O2S/c1-30-20-13-6-5-12-19(20)22(23(29)26-17-9-3-2-4-10-17)27(21(28)15-25)18-11-7-8-16(24)14-18/h5-8,11-14,17,22H,2-4,9-10,15,25H2,1H3,(H,26,29)
InChIKeyRJDHEDIMPVJUOY-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.03
Rot. Bonds7

About 2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide

2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide (PubChem CID 130470322) has the molecular formula C23H28FN3O2S and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide
PubChem CID130470322
Molecular FormulaC23H28FN3O2S
Molecular Weight429.56 g/mol
Exact Mass429.19
IUPAC Name2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CN)c1cccc(F)c1
InChIInChI=1S/C23H28FN3O2S/c1-30-20-13-6-5-12-19(20)22(23(29)26-17-9-3-2-4-10-17)27(21(28)15-25)18-11-7-8-16(24)14-18/h5-8,11-14,17,22H,2-4,9-10,15,25H2,1H3,(H,26,29)
InChIKeyRJDHEDIMPVJUOY-UHFFFAOYSA-N
XLogP4.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide (CID 130470322) is 2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CN)c1cccc(F)c1.
What is the InChIKey of 2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide?
The InChIKey is RJDHEDIMPVJUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2S/c1-30-20-13-6-5-12-19(20)22(23(29)26-17-9-3-2-4-10-17)27(21(28)15-25)18-11-7-8-16(24)14-18/h5-8,11-14,17,22H,2-4,9-10,15,25H2,1H3,(H,26,29).
What are the key properties of 2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide?
2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide has a molecular weight of 429.56 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-aminoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 130470322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).