N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide

C24H35N5O3S — CID 53108341

IUPACN-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cnc1N1CCNCC1
InChIInChI=1S/C24H35N5O3S/c1-5-18(4)27-24(30)22-15-20(16-26-23(22)29-12-10-25-11-13-29)28-33(31,32)21-8-6-19(7-9-21)14-17(2)3/h6-9,15-18,25,28H,5,10-14H2,1-4H3,(H,27,30)
InChIKeyCARGQWLEDOMLFB-UHFFFAOYSA-N
MW473.64 g/mol
LogP3.02
Rot. Bonds9

About N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide

N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 53108341) has the molecular formula C24H35N5O3S and a molecular weight of 473.64 g/mol. Its IUPAC name is N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
PubChem CID53108341
Molecular FormulaC24H35N5O3S
Molecular Weight473.64 g/mol
Exact Mass473.25
IUPAC NameN-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cnc1N1CCNCC1
InChIInChI=1S/C24H35N5O3S/c1-5-18(4)27-24(30)22-15-20(16-26-23(22)29-12-10-25-11-13-29)28-33(31,32)21-8-6-19(7-9-21)14-17(2)3/h6-9,15-18,25,28H,5,10-14H2,1-4H3,(H,27,30)
InChIKeyCARGQWLEDOMLFB-UHFFFAOYSA-N
XLogP3.02
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-butan-2-yl]-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 95086227
N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146062723
N-butan-2-yl-5-[(4-chlorophenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53010553
N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylbenzamide
CID 46379635
N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108262
N-butan-2-yl-5-[(4-ethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146062526
N-[6-piperazin-1-yl-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 53108329
N-[(2S)-butan-2-yl]-5-[(4-tert-butylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 92880534
N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108259
N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108226
N-butyl-5-[(4-chlorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108196
N-butan-2-yl-5-[(3,4-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 50822883

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide (CID 53108341) is N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide is CCC(C)NC(=O)c1cc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cnc1N1CCNCC1.
What is the InChIKey of N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is CARGQWLEDOMLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3S/c1-5-18(4)27-24(30)22-15-20(16-26-23(22)29-12-10-25-11-13-29)28-33(31,32)21-8-6-19(7-9-21)14-17(2)3/h6-9,15-18,25,28H,5,10-14H2,1-4H3,(H,27,30).
What are the key properties of N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 473.64 g/mol, XLogP of 3.02, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 53108341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).