N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

C17H22N4O3S — CID 51237890

IUPACN-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCn1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C17H22N4O3S/c1-20-12-9-16(19-20)18-17(22)13-14-5-7-15(8-6-14)25(23,24)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11,13H2,1H3,(H,18,19,22)
InChIKeyFXJGIHFJRMTTLG-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.78
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 51237890) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID51237890
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCn1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C17H22N4O3S/c1-20-12-9-16(19-20)18-17(22)13-14-5-7-15(8-6-14)25(23,24)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11,13H2,1H3,(H,18,19,22)
InChIKeyFXJGIHFJRMTTLG-UHFFFAOYSA-N
XLogP1.78
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
N-(5-chloro-2-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51188709
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7959042
N-(1-methylpyrazol-3-yl)-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 19405146
N-(2-aminophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 119422117
N-(3-ethylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7935127
N-(2-ethyl-6-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7900185
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55493371
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 4857987
N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9399959
2-(3,4-dichlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2425143
N-[(2R,4S)-4-hydroxypentan-2-yl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 97350505

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 51237890) is N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is Cn1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is FXJGIHFJRMTTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-20-12-9-16(19-20)18-17(22)13-14-5-7-15(8-6-14)25(23,24)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11,13H2,1H3,(H,18,19,22).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 362.46 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 51237890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).