2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide

C24H29N3O5S — CID 11648494

IUPAC2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCCc1cccc(C(=O)N2CCN(S(=O)(=O)C3CCC3)CC2)c1
InChIInChI=1S/C24H29N3O5S/c25-23(28)21-9-1-2-10-22(21)32-16-11-18-5-3-6-19(17-18)24(29)26-12-14-27(15-13-26)33(30,31)20-7-4-8-20/h1-3,5-6,9-10,17,20H,4,7-8,11-16H2,(H2,25,28)
InChIKeyPLBGWEFKYDZRDX-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.05
Rot. Bonds8

About 2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide

2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide (PubChem CID 11648494) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide
PubChem CID11648494
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCCc1cccc(C(=O)N2CCN(S(=O)(=O)C3CCC3)CC2)c1
InChIInChI=1S/C24H29N3O5S/c25-23(28)21-9-1-2-10-22(21)32-16-11-18-5-3-6-19(17-18)24(29)26-12-14-27(15-13-26)33(30,31)20-7-4-8-20/h1-3,5-6,9-10,17,20H,4,7-8,11-16H2,(H2,25,28)
InChIKeyPLBGWEFKYDZRDX-UHFFFAOYSA-N
XLogP2.05
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide
CID 11640434
2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide
CID 167933828
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid
CID 119167810
2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide
CID 124573502
2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide
CID 124693496
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid
CID 154750488
2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide
CID 48500164
3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110
N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 17205909
2-[2-[4-fluoro-3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide
CID 25218494
[3-(4-cyclopentyloxypiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 126777259
1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide
CID 62593665

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide?
The IUPAC name of 2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide (CID 11648494) is 2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide.
What is the SMILES notation for 2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide?
The canonical SMILES for 2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide is NC(=O)c1ccccc1OCCc1cccc(C(=O)N2CCN(S(=O)(=O)C3CCC3)CC2)c1.
What is the InChIKey of 2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide?
The InChIKey is PLBGWEFKYDZRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c25-23(28)21-9-1-2-10-22(21)32-16-11-18-5-3-6-19(17-18)24(29)26-12-14-27(15-13-26)33(30,31)20-7-4-8-20/h1-3,5-6,9-10,17,20H,4,7-8,11-16H2,(H2,25,28).
What are the key properties of 2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide?
2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide has a molecular weight of 471.58 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide is sourced from PubChem (CID 11648494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).