N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C20H28N4O4S — CID 108565545

IUPACN-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCOc1ccc(CC(=O)N2CCC(NS(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1
InChIInChI=1S/C20H28N4O4S/c1-4-28-18-7-5-16(6-8-18)13-19(25)24-11-9-17(10-12-24)23-29(26,27)20-14(2)21-22-15(20)3/h5-8,17,23H,4,9-13H2,1-3H3,(H,21,22)
InChIKeyAEMAOGNPCUOCKD-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.94
Rot. Bonds7

About N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 108565545) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID108565545
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCOc1ccc(CC(=O)N2CCC(NS(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1
InChIInChI=1S/C20H28N4O4S/c1-4-28-18-7-5-16(6-8-18)13-19(25)24-11-9-17(10-12-24)23-29(26,27)20-14(2)21-22-15(20)3/h5-8,17,23H,4,9-13H2,1-3H3,(H,21,22)
InChIKeyAEMAOGNPCUOCKD-UHFFFAOYSA-N
XLogP1.94
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565571
3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide
CID 108565651
3,5-dimethyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]-1H-pyrazole-4-sulfonamide
CID 108565223
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108566444
2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
2,2-dichloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108565559
2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108556268
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone;hydrochloride
CID 119621601
3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide
CID 108566855
4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 35402103
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555615
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566445

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 108565545) is N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCOc1ccc(CC(=O)N2CCC(NS(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is AEMAOGNPCUOCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-4-28-18-7-5-16(6-8-18)13-19(25)24-11-9-17(10-12-24)23-29(26,27)20-14(2)21-22-15(20)3/h5-8,17,23H,4,9-13H2,1-3H3,(H,21,22).
What are the key properties of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 420.54 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 108565545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).