5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide

C17H23N5O3S — CID 120635627

IUPAC5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(N)cc1C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C17H23N5O3S/c1-12-3-4-13(18)9-16(12)17(23)20-14-5-7-22(8-6-14)26(24,25)15-10-19-21(2)11-15/h3-4,9-11,14H,5-8,18H2,1-2H3,(H,20,23)
InChIKeyXJONKPVXGHYCEN-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.89
Rot. Bonds4

About 5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide

5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 120635627) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide
PubChem CID120635627
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(N)cc1C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C17H23N5O3S/c1-12-3-4-13(18)9-16(12)17(23)20-14-5-7-22(8-6-14)26(24,25)15-10-19-21(2)11-15/h3-4,9-11,14H,5-8,18H2,1-2H3,(H,20,23)
InChIKeyXJONKPVXGHYCEN-UHFFFAOYSA-N
XLogP0.89
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride
CID 119945720
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
CID 120668801
N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
CID 7376460
5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide
CID 120641743
(2R)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
CID 97215975
N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
CID 75373223
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
2-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 32542953
5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 34100373

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide (CID 120635627) is 5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide is Cc1ccc(N)cc1C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1.
What is the InChIKey of 5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is XJONKPVXGHYCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-12-3-4-13(18)9-16(12)17(23)20-14-5-7-22(8-6-14)26(24,25)15-10-19-21(2)11-15/h3-4,9-11,14H,5-8,18H2,1-2H3,(H,20,23).
What are the key properties of 5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide?
5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide has a molecular weight of 377.47 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 120635627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).