5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide

C20H27N5O3S — CID 53108278

IUPAC5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCCNC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)cnc1N1CCNCC1
InChIInChI=1S/C20H27N5O3S/c1-4-22-20(26)17-12-16(13-23-19(17)25-9-7-21-8-10-25)24-29(27,28)18-11-14(2)5-6-15(18)3/h5-6,11-13,21,24H,4,7-10H2,1-3H3,(H,22,26)
InChIKeyDQNXTWJWIHPCFW-UHFFFAOYSA-N
MW417.54 g/mol
LogP1.66
Rot. Bonds6

About 5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide

5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 53108278) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide
PubChem CID53108278
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCCNC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)cnc1N1CCNCC1
InChIInChI=1S/C20H27N5O3S/c1-4-22-20(26)17-12-16(13-23-19(17)25-9-7-21-8-10-25)24-29(27,28)18-11-14(2)5-6-15(18)3/h5-6,11-13,21,24H,4,7-10H2,1-3H3,(H,22,26)
InChIKeyDQNXTWJWIHPCFW-UHFFFAOYSA-N
XLogP1.66
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 20972610
N-cycloheptyl-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146062665
N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108262
N-cycloheptyl-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108259
N-[(2R)-butan-2-yl]-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 92895458
N-butan-2-yl-5-[(4-chlorophenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53010553
N-cycloheptyl-5-(ethylsulfonylamino)-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108244
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
CID 53108341
N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108226
2-pyrrolidin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53004779
2-(azocan-1-yl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054705

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of 5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide (CID 53108278) is 5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide is CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)cnc1N1CCNCC1.
What is the InChIKey of 5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is DQNXTWJWIHPCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-4-22-20(26)17-12-16(13-23-19(17)25-9-7-21-8-10-25)24-29(27,28)18-11-14(2)5-6-15(18)3/h5-6,11-13,21,24H,4,7-10H2,1-3H3,(H,22,26).
What are the key properties of 5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide?
5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 417.54 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 53108278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).