N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide

C18H22N4O3S — CID 7116550

IUPACN-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide
SMILESCC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1
InChIInChI=1S/C18H22N4O3S/c1-2-15-5-3-4-12-22(15)26(24,25)16-8-6-14(7-9-16)21-18(23)17-13-19-10-11-20-17/h6-11,13,15H,2-5,12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyCJMJQBGXYLUXET-HNNXBMFYSA-N
MW374.47 g/mol
LogP2.68
Rot. Bonds5

About N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide

N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide (PubChem CID 7116550) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide
PubChem CID7116550
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide
SMILESCC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1
InChIInChI=1S/C18H22N4O3S/c1-2-15-5-3-4-12-22(15)26(24,25)16-8-6-14(7-9-16)21-18(23)17-13-19-10-11-20-17/h6-11,13,15H,2-5,12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyCJMJQBGXYLUXET-HNNXBMFYSA-N
XLogP2.68
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
CID 6467830
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 92660341
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17147787
2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
CID 4590168
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
CID 17256766
3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17256634
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
CID 3962822
N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide
CID 39179415
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide (CID 7116550) is N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide is CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide?
The InChIKey is CJMJQBGXYLUXET-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-2-15-5-3-4-12-22(15)26(24,25)16-8-6-14(7-9-16)21-18(23)17-13-19-10-11-20-17/h6-11,13,15H,2-5,12H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide?
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 7116550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).