N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide

C20H27N5O4S — CID 53108262

IUPACN-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCOCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)cnc1N1CCNCC1
InChIInChI=1S/C20H27N5O4S/c1-15-3-5-17(6-4-15)30(27,28)24-16-13-18(20(26)22-9-12-29-2)19(23-14-16)25-10-7-21-8-11-25/h3-6,13-14,21,24H,7-12H2,1-2H3,(H,22,26)
InChIKeyWDQHJWJZLXUVKM-UHFFFAOYSA-N
MW433.53 g/mol
LogP0.98
Rot. Bonds8

About N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide

N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 53108262) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
PubChem CID53108262
Molecular FormulaC20H27N5O4S
Molecular Weight433.53 g/mol
Exact Mass433.18
IUPAC NameN-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCOCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)cnc1N1CCNCC1
InChIInChI=1S/C20H27N5O4S/c1-15-3-5-17(6-4-15)30(27,28)24-16-13-18(20(26)22-9-12-29-2)19(23-14-16)25-10-7-21-8-11-25/h3-6,13-14,21,24H,7-12H2,1-2H3,(H,22,26)
InChIKeyWDQHJWJZLXUVKM-UHFFFAOYSA-N
XLogP0.98
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108259
5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108278
N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108226
N-butan-2-yl-5-[(4-chlorophenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53010553
5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide
CID 46379661
N-[(2R)-butan-2-yl]-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 95086227
5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 50828223
N-butan-2-yl-5-[[4-(2-methylpropyl)phenyl]sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108341
N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 20972610
N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108396
4-tert-butyl-N-[6-piperazin-1-yl-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
CID 53010578
N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108205

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide (CID 53108262) is N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide is COCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)cnc1N1CCNCC1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is WDQHJWJZLXUVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-15-3-5-17(6-4-15)30(27,28)24-16-13-18(20(26)22-9-12-29-2)19(23-14-16)25-10-7-21-8-11-25/h3-6,13-14,21,24H,7-12H2,1-2H3,(H,22,26).
What are the key properties of N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide?
N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 53108262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).