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N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid

C21H30F3N3O5S — CID 146061526

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)C2CCCC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H29N3O3S.C2HF3O2/c1-16-6-8-17(9-7-16)19(23)22(18-4-2-3-5-18)14-15-26(24,25)21-12-10-20-11-13-21;3-2(4,5)1(6)7/h6-9,18,20H,2-5,10-15H2,1H3;(H,6,7)
InChIKeySLSYRPPMEBJBDR-UHFFFAOYSA-N
MW493.55 g/mol
LogP2.25
Rot. Bonds6

About N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid

N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid (PubChem CID 146061526) has the molecular formula C21H30F3N3O5S and a molecular weight of 493.55 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
PubChem CID146061526
Molecular FormulaC21H30F3N3O5S
Molecular Weight493.55 g/mol
Exact Mass493.19
IUPAC NameN-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)C2CCCC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H29N3O3S.C2HF3O2/c1-16-6-8-17(9-7-16)19(23)22(18-4-2-3-5-18)14-15-26(24,25)21-12-10-20-11-13-21;3-2(4,5)1(6)7/h6-9,18,20H,2-5,10-15H2,1H3;(H,6,7)
InChIKeySLSYRPPMEBJBDR-UHFFFAOYSA-N
XLogP2.25
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid (CID 146061526) is N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid is Cc1ccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)C2CCCC2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is SLSYRPPMEBJBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.C2HF3O2/c1-16-6-8-17(9-7-16)19(23)22(18-4-2-3-5-18)14-15-26(24,25)21-12-10-20-11-13-21;3-2(4,5)1(6)7/h6-9,18,20H,2-5,10-15H2,1H3;(H,6,7).
What are the key properties of N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid?
N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 493.55 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146061526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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