N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide

C24H32N4O3S — CID 46333755

IUPACN-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCC3)ccc2N2CCNCC2)cc1
InChIInChI=1S/C24H32N4O3S/c1-2-18-7-10-21(11-8-18)32(30,31)27-22-17-19(24(29)26-20-5-3-4-6-20)9-12-23(22)28-15-13-25-14-16-28/h7-12,17,20,25,27H,2-6,13-16H2,1H3,(H,26,29)
InChIKeyORJGTFPKQOPDDQ-UHFFFAOYSA-N
MW456.61 g/mol
LogP3.13
Rot. Bonds7

About N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide

N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide (PubChem CID 46333755) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
PubChem CID46333755
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC NameN-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCC3)ccc2N2CCNCC2)cc1
InChIInChI=1S/C24H32N4O3S/c1-2-18-7-10-21(11-8-18)32(30,31)27-22-17-19(24(29)26-20-5-3-4-6-20)9-12-23(22)28-15-13-25-14-16-28/h7-12,17,20,25,27H,2-6,13-16H2,1H3,(H,26,29)
InChIKeyORJGTFPKQOPDDQ-UHFFFAOYSA-N
XLogP3.13
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
N-cyclopentyl-4-piperazin-1-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
CID 46333749
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059449
N-ethyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059399
N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide
CID 20968018
3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333723
N-butan-2-yl-3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333635
N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333701
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 92872260
3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059418
3-[(4-ethylphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid
CID 46291772
N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide
CID 92872204

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide?
The IUPAC name of N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide (CID 46333755) is N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide.
What is the SMILES notation for N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide?
The canonical SMILES for N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide is CCc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCC3)ccc2N2CCNCC2)cc1.
What is the InChIKey of N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide?
The InChIKey is ORJGTFPKQOPDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-2-18-7-10-21(11-8-18)32(30,31)27-22-17-19(24(29)26-20-5-3-4-6-20)9-12-23(22)28-15-13-25-14-16-28/h7-12,17,20,25,27H,2-6,13-16H2,1H3,(H,26,29).
What are the key properties of N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide?
N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide has a molecular weight of 456.61 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 46333755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).