2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

C23H24ClN3OS — CID 56540939

IUPAC2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(c1ccccc1Cl)N(CC(=O)NC(c1ccccc1)c1nccs1)C1CC1
InChIInChI=1S/C23H24ClN3OS/c1-16(19-9-5-6-10-20(19)24)27(18-11-12-18)15-21(28)26-22(23-25-13-14-29-23)17-7-3-2-4-8-17/h2-10,13-14,16,18,22H,11-12,15H2,1H3,(H,26,28)
InChIKeyZCDVXTBIEFDOHU-UHFFFAOYSA-N
MW425.99 g/mol
LogP5.23
Rot. Bonds8

About 2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56540939) has the molecular formula C23H24ClN3OS and a molecular weight of 425.99 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID56540939
Molecular FormulaC23H24ClN3OS
Molecular Weight425.99 g/mol
Exact Mass425.13
IUPAC Name2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(c1ccccc1Cl)N(CC(=O)NC(c1ccccc1)c1nccs1)C1CC1
InChIInChI=1S/C23H24ClN3OS/c1-16(19-9-5-6-10-20(19)24)27(18-11-12-18)15-21(28)26-22(23-25-13-14-29-23)17-7-3-2-4-8-17/h2-10,13-14,16,18,22H,11-12,15H2,1H3,(H,26,28)
InChIKeyZCDVXTBIEFDOHU-UHFFFAOYSA-N
XLogP5.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.99
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 56540939) is 2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is CC(c1ccccc1Cl)N(CC(=O)NC(c1ccccc1)c1nccs1)C1CC1.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is ZCDVXTBIEFDOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3OS/c1-16(19-9-5-6-10-20(19)24)27(18-11-12-18)15-21(28)26-22(23-25-13-14-29-23)17-7-3-2-4-8-17/h2-10,13-14,16,18,22H,11-12,15H2,1H3,(H,26,28).
What are the key properties of 2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 425.99 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56540939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).