N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide

C24H34N4O3S — CID 92880535

IUPACN-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
SMILESCC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)cc2C)ccc1N1CCNCC1
InChIInChI=1S/C24H34N4O3S/c1-6-19(5)26-24(29)21-15-20(7-8-22(21)28-11-9-25-10-12-28)27-32(30,31)23-14-17(3)16(2)13-18(23)4/h7-8,13-15,19,25,27H,6,9-12H2,1-5H3,(H,26,29)/t19-/m1/s1
InChIKeyOCZPKYPEBFLNJO-LJQANCHMSA-N
MW458.63 g/mol
LogP3.35
Rot. Bonds7

About N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide

N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide (PubChem CID 92880535) has the molecular formula C24H34N4O3S and a molecular weight of 458.63 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
PubChem CID92880535
Molecular FormulaC24H34N4O3S
Molecular Weight458.63 g/mol
Exact Mass458.24
IUPAC NameN-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
SMILESCC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)cc2C)ccc1N1CCNCC1
InChIInChI=1S/C24H34N4O3S/c1-6-19(5)26-24(29)21-15-20(7-8-22(21)28-11-9-25-10-12-28)27-32(30,31)23-14-17(3)16(2)13-18(23)4/h7-8,13-15,19,25,27H,6,9-12H2,1-5H3,(H,26,29)/t19-/m1/s1
InChIKeyOCZPKYPEBFLNJO-LJQANCHMSA-N
XLogP3.35
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 92895458
N-butan-2-yl-5-[(3,4-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 50822883
N-[(2S)-butan-2-yl]-5-[(4-tert-butylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 92880534
N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylbenzamide
CID 46379635
N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 50822497
N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 20972197
N-butan-2-yl-5-[(4-ethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146062526
N-butan-2-yl-5-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 163337370
5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide
CID 20972171
2-(4-ethylpiperazin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid
CID 50766120
N-[(2R)-butan-2-yl]-3-[(2,5-dimethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 92872261
N-butan-2-yl-3-[(2-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333644

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide (CID 92880535) is N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide is CC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)cc2C)ccc1N1CCNCC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The InChIKey is OCZPKYPEBFLNJO-LJQANCHMSA-N. The full InChI is InChI=1S/C24H34N4O3S/c1-6-19(5)26-24(29)21-15-20(7-8-22(21)28-11-9-25-10-12-28)27-32(30,31)23-14-17(3)16(2)13-18(23)4/h7-8,13-15,19,25,27H,6,9-12H2,1-5H3,(H,26,29)/t19-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide has a molecular weight of 458.63 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 92880535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).